#![allow(clippy::missing_panics_doc)]
use std::io::{BufRead, BufReader};
use context_error::{BasicKind, BoxedError};
use crate::{IdentifiedPeptidoform, MZTabData, MaybePeptidoform, test_identified_peptidoform};
use mzcore::sequence::SimpleLinear;
#[test]
fn pride_exp_excerpt_ac_1643() {
assert_eq!(
open_file(BufReader::new(PRIDE_EXP_EXCERPT_AC_1643.as_bytes())).unwrap(),
25
);
}
#[test]
fn pride_exp_excerpt_ac_16649() {
assert_eq!(
open_file(BufReader::new(PRIDE_EXP_EXCERPT_AC_16649.as_bytes())).unwrap(),
15
);
}
#[test]
fn silac_cqi() {
assert_eq!(open_file(BufReader::new(SILAC_CQI.as_bytes())).unwrap(), 30);
}
#[test]
fn itraq_cqi() {
assert_eq!(open_file(BufReader::new(ITRAQ_CQI.as_bytes())).unwrap(), 36);
}
#[test]
fn itraq_sqi() {
assert_eq!(open_file(BufReader::new(ITRAQ_SQI.as_bytes())).unwrap(), 28);
}
#[test]
fn labelfree_cqi() {
assert_eq!(
open_file(BufReader::new(LABELFREE_CQI.as_bytes())).unwrap(),
58
);
}
#[test]
fn labelfree_sqi() {
assert_eq!(
open_file(BufReader::new(LABELFREE_SQI.as_bytes())).unwrap(),
58
);
}
#[test]
fn complex_mods() {
assert_eq!(
open_file(BufReader::new(COMPLEX_MODS.as_bytes())).unwrap(),
16
);
}
#[test]
fn casanovo_v3_2_0() {
assert_eq!(
open_file(BufReader::new(CASANOVO_V3_2_0_A.as_bytes())).unwrap(),
41
);
assert_eq!(
open_file(BufReader::new(CASANOVO_V3_2_0_B.as_bytes())).unwrap(),
41
);
}
#[test]
fn casanovo_v4_2_1() {
assert_eq!(
open_file(BufReader::new(CASANOVO_V4_2_1.as_bytes())).unwrap(),
39
);
}
#[test]
fn casanovo_v5_0_0() {
assert_eq!(
open_file(BufReader::new(CASANOVO_V5_0_0.as_bytes())).unwrap(),
35
);
}
#[test]
fn contranovo_v1_0_0() {
assert_eq!(
open_file(BufReader::new(CONTRANOVO_V1_0_0.as_bytes())).unwrap(),
20
);
}
#[test]
fn adanovo_v1_0_0() {
assert_eq!(
open_file(BufReader::new(ADANOVO_V1_0_0.as_bytes())).unwrap(),
18
);
}
#[test]
fn maxquant_dia_paper() {
assert_eq!(
open_file(BufReader::new(MAXQUANT_DIA_PAPER.as_bytes())).unwrap(),
29
);
}
/// Open a MZTab file from the given reader.
/// # Errors
/// If any part of the process errors.
fn open_file(reader: impl BufRead) -> Result<usize, BoxedError<'static, BasicKind>> {
let mut peptides = 0;
for read in MZTabData::parse_reader(reader, &mzcore::ontology::STATIC_ONTOLOGIES) {
let peptide: IdentifiedPeptidoform<SimpleLinear, MaybePeptidoform> =
read.map_err(BoxedError::to_owned)?.into();
peptides += 1;
test_identified_peptidoform(&peptide, true, false).unwrap();
}
Ok(peptides)
}
const PRIDE_EXP_EXCERPT_AC_1643: &str = r"MTD mzTab-version 1.0 rc5
MTD mzTab-mode Complete
MTD mzTab-type Identification
MTD mzTab-ID 1643
MTD title COFRADIC N-terminal proteome of unstimulated human blood platelets, identified and unidentified spectra
MTD description date of export: Mon Jun 16 11:52:25 BST 2014
MTD instrument[1]-name [PRIDE, PRIDE:0000131, Instrument model, Micromass Q-TOF I]
MTD instrument[1]-source [PSI, PSI:1000008, Ionization Type, ESI]
MTD instrument[1]-analyzer[1] [PSI, PSI:1000010, Analyzer Type, Quadrupole-TOF]
MTD instrument[1]-detector [PSI, PSI:1000026, Detector Type, MultiChannelPlate]
MTD software[1] [MS, MS:1001456, analysis software, MassLynx v3.5]
MTD protein_search_engine_score[1] [MS, MS:1001171, Mascot:score, ]
MTD psm_search_engine_score[1] [MS, MS:1001153, search engine specific score, ]
MTD publication[1] pubmed:16038019
MTD publication[2] pubmed:12665801
MTD publication[3] pubmed:16518876
MTD contact[1]-name Kristian Flikka
MTD contact[1]-affiliation Computational Biology Unit, Bergen Center for Computational Science, University of Bergen
MTD contact[1]-email flikka@ii.uib.no
MTD contact[2]-name Lennart Martens
MTD contact[2]-affiliation Department of Medical Protein Research (GE07, VIB09), Faculty of Medicine and Health Sciences, Ghent University and Flanders Interuniversitary Institute for Biotechnology (VIB)
MTD contact[2]-email lennart.martens@UGent.be
MTD uri[1] http://www.ebi.ac.uk/pride/archive/assays/1643
MTD fixed_mod[1] [MS, MS:1002453, No fixed modifications searched, ]
MTD variable_mod[1] [MS, MS:1002454, No variable modifications searched, ]
MTD ms_run[1]-format [MS, MS:1000564, PSI mzData file, ]
MTD ms_run[1]-location ftp://ftp.pride.ebi.ac.uk/pride/data/archive/2005/12/PRD000001/PRIDE_Exp_Complete_Ac_1643.xml.gz
MTD ms_run[1]-id_format [MS, MS:1000777, spectrum identifier nativeID format, ]
MTD sample[1]-species[1] [NEWT, 9606, Homo sapiens (Human), ]
MTD sample[1]-cell_type[1] [CL, CL:0000233, platelet, ]
MTD sample[1]-description Unstimulated human blood platelets
MTD sample[1]-custom[1] [MeSH, D001792, blood_platelets, ]
MTD assay[1]-sample_ref sample[1]
MTD assay[1]-ms_run_ref ms_run[1]
COM Only variable modifications can be reported when the original source is a PRIDE XML file
PRH accession description taxid species database database_version search_engine best_search_engine_score[1] search_engine_score[1]_ms_run[1] num_psms_ms_run[1] num_peptides_distinct_ms_run[1] num_peptides_unique_ms_run[1] ambiguity_members modifications protein_coverage
PRT IPI00025512 null 9606 Homo sapiens (Human) IPI human 2.31 [MS, MS:1001207, Mascot, ] 60.67 60.67 3 1 null null null 0.0
PRT IPI00298497 null 9606 Homo sapiens (Human) IPI human 2.31 [MS, MS:1001207, Mascot, ] 69.37 69.37 49 10 null null null 0.0
PSH sequence PSM_ID accession unique database database_version search_engine search_engine_score[1] modifications retention_time charge exp_mass_to_charge calc_mass_to_charge spectra_ref pre post start end
PSM LFDQAFGLPR 17699 IPI00025512 null IPI human 2.31 null null null null null null null ms_run[1]:spectrum=17699 null null 28 37
PSM LFDQAFGLPR 17815 IPI00025512 null IPI human 2.31 null null null null null null null ms_run[1]:spectrum=17815 null null 28 37
PSM LFDQAFGLPR 17587 IPI00025512 null IPI human 2.31 null null null null null null null ms_run[1]:spectrum=17587 null null 28 37
PSM VNDNEEGFFSAR 5927 IPI00298497 null IPI human 2.31 null null null null null null null ms_run[1]:spectrum=5927 null null 33 44
PSM LRPAPPPISGGGYR 14345 IPI00298497 null IPI human 2.31 null null null null null null null ms_run[1]:spectrum=14345 null null 59 72
PSM QGVNDNEEGFFSAR 14083 IPI00298497 null IPI human 2.31 null null null null null null null ms_run[1]:spectrum=14083 null null 31 44
PSM KIQKLESDVSAQMEYCR 2689 IPI00298497 null IPI human 2.31 null null null null null null null ms_run[1]:spectrum=2689 null null 208 224
PSM QGVNDNEEGFFSAR 14423 IPI00298497 null IPI human 2.31 null null null null null null null ms_run[1]:spectrum=14423 null null 31 44
PSM QGVNDNEEGFFSAR 7451 IPI00298497 null IPI human 2.31 null null null null null null null ms_run[1]:spectrum=7451 null null 31 44
PSM QGVNDNEEGFFSAR 14219 IPI00298497 null IPI human 2.31 null null null null null null null ms_run[1]:spectrum=14219 null null 31 44
PSM QGVNDNEEGFFSAR 7615 IPI00298497 null IPI human 2.31 null null null null null null null ms_run[1]:spectrum=7615 null null 31 44
PSM QGVNDNEEGFFSAR 14461 IPI00298497 null IPI human 2.31 null null null null null null null ms_run[1]:spectrum=14461 null null 31 44
PSM AAATQKKVER 12129 IPI00298497 null IPI human 2.31 null null null null null null null ms_run[1]:spectrum=12129 null null 78 87
PSM LRPAPPPISGGGYR 7069 IPI00298497 null IPI human 2.31 null null null null null null null ms_run[1]:spectrum=7069 null null 59 72
PSM LRPAPPPISGGGYR 14193 IPI00298497 null IPI human 2.31 null null null null null null null ms_run[1]:spectrum=14193 null null 59 72
PSM QGVNDNEEGFFSAR 6145 IPI00298497 null IPI human 2.31 null null null null null null null ms_run[1]:spectrum=6145 null null 31 44
PSM QGVNDNEEGFFSAR 6045 IPI00298497 null IPI human 2.31 null null null null null null null ms_run[1]:spectrum=6045 null null 31 44
PSM LRPAPPPISGGGYR 7223 IPI00298497 null IPI human 2.31 null null null null null null null ms_run[1]:spectrum=7223 null null 59 72
PSM QGVNDNEEGFFSAR 7677 IPI00298497 null IPI human 2.31 null null null null null null null ms_run[1]:spectrum=7677 null null 31 44
PSM LRPAPPPISGGGYR 14495 IPI00298497 null IPI human 2.31 null null null null null null null ms_run[1]:spectrum=14495 null null 59 72
PSM GHRPLDKKR 12699 IPI00298497 null IPI human 2.31 null null null null null null null ms_run[1]:spectrum=12699 null null 45 53
PSM QGVNDNEEGFFSAR 14269 IPI00298497 null IPI human 2.31 null null null null null null null ms_run[1]:spectrum=14269 null null 31 44
PSM QGVNDNEEGFFSAR 15077 IPI00298497 null IPI human 2.31 null null null null null null null ms_run[1]:spectrum=15077 null null 31 44
PSM QGVNDNEEGFFSAR 14371 IPI00298497 null IPI human 2.31 null null null null null null null ms_run[1]:spectrum=14371 null null 31 44
PSM EAPSLRPAPPPISGGGYR 14059 IPI00298497 null IPI human 2.31 null null null null null null null ms_run[1]:spectrum=14059 null null 55 72";
const PRIDE_EXP_EXCERPT_AC_16649: &str = r"MTD mzTab-version 1.0 rc5
MTD mzTab-mode Summary
MTD mzTab-type Quantification
MTD mzTab-ID 16649
MTD title The Synaptic Proteome during Development and Plasticity of the Mouse Visual Cortex
MTD description date of export: Mon Jun 16 10:57:56 BST 2014
MTD sample_processing[1] [PRIDE, PRIDE:0000025, Reduction, DTT]
MTD sample_processing[2] [MOD, MOD:00110, L-cysteine methyl disulfide, ]
MTD sample_processing[3] [PRIDE, PRIDE:0000160, Enzyme, Trypsin]
MTD instrument[1]-name [PRIDE, PRIDE:0000131, Instrument model, ABI 4800]
MTD instrument[1]-source [MS, MS:1000075, matrix-assisted laser desorption ionization, ]
MTD instrument[1]-analyzer[1] [MS, MS:1000084, time-of-flight, ]
MTD instrument[1]-detector [MS, MS:1000116, photomultiplier, ]
MTD software[1] [MS, MS:1001456, analysis software, Matrix Science Mascot v2.3.01]
MTD protein_search_engine_score[1] [MS, MS:1001171, Mascot:score, ]
MTD psm_search_engine_score[1] [PRIDE, PRIDE:0000069, Mascot score, ]
MTD publication[1] pubmed:21398567
MTD contact[1]-name August B. Smit
MTD contact[1]-affiliation Department of Molecular and Cellular Neurobiology, Center for Neurogenomics and Cognitive Research, Neuroscience Campus Amsterdam, VU University, De Boelelaan 1085, 1081 HV Amsterdam, The Netherlands
MTD contact[1]-email guus.smit@cncr.vu.nl
MTD contact[2]-name Christiaan N. Levelt
MTD contact[2]-affiliation Molecular Visual Plasticity group, Netherlands Institute for Neuroscience, an institute of the Royal Netherlands Academy of Arts and Sciences, Meibergdreef 47, 1105 BA Amsterdam, The Netherlands
MTD contact[2]-email c.levelt@nin.knaw.nl
MTD contact[3]-name Ka Wan Li
MTD contact[3]-affiliation Department of Molecular and Cellular Neurobiology, Center for Neurogenomics and Cognitive Research, Neuroscience Campus Amsterdam, VU University, De Boelelaan 1085, 1081 HV Amsterdam, The Netherlands
MTD contact[3]-email ka.wan.li@cncr.vu.nl
MTD contact[4]-name Pim van Nierop
MTD contact[4]-affiliation Department of Molecular and Cellular Neurobiology, Center for Neurogenomics and Cognitive Research, Neuroscience Campus Amsterdam, VU University, De Boelelaan 1085, 1081 HV Amsterdam, The Netherlands
MTD contact[4]-email pim.van.nierop@cncr.vu.nl
MTD uri[1] http://www.ebi.ac.uk/pride/archive/assays/16649
MTD fixed_mod[1] [MS, MS:1002453, No fixed modifications searched, ]
MTD variable_mod[1] [MOD, MOD:01499, iTRAQ4plex-116 reporter+balance reagent acylated residue, 144.102062]
MTD variable_mod[2] [MOD, MOD:00425, monohydroxylated residue, 15.994915]
MTD quantification_method [PRIDE, PRIDE:0000313, iTRAQ, ]
MTD protein-quantification_unit [PRIDE, PRIDE:0000395, Ratio, ]
MTD ms_run[1]-format [MS, MS:1000564, PSI mzData file, ]
MTD ms_run[1]-location ftp://ftp.pride.ebi.ac.uk/pride/data/archive/2011/03/PRD000397/PRIDE_Exp_Complete_Ac_16649.xml.gz
MTD ms_run[1]-id_format [MS, MS:1000777, spectrum identifier nativeID format, ]
MTD sample[1]-species[1] [NEWT, 10090, Mus musculus (Mouse), subsample1]
MTD sample[1]-description Biological replicate 1, P30
MTD sample[1]-custom[1] [GO, GO:0044456, synapse part, subsample1]
MTD sample[1]-custom[2] [EFO, EFO:0000916, visual cortex, subsample1]
MTD sample[2]-species[1] [NEWT, 10090, Mus musculus (Mouse), subsample2]
MTD sample[2]-description Biological replicate 1, P30 right eye occlusion
MTD sample[2]-custom[1] [GO, GO:0044456, synapse part, subsample2]
MTD sample[2]-custom[2] [EFO, EFO:0000916, visual cortex, subsample2]
MTD sample[3]-species[1] [NEWT, 10090, Mus musculus (Mouse), subsample3]
MTD sample[3]-description Biological replicate 1, P46
MTD sample[3]-custom[1] [GO, GO:0044456, synapse part, subsample3]
MTD sample[3]-custom[2] [EFO, EFO:0000916, visual cortex, subsample3]
MTD sample[4]-species[1] [NEWT, 10090, Mus musculus (Mouse), subsample4]
MTD sample[4]-description Biological replicate 1, P46 dark rearing
MTD sample[4]-custom[1] [GO, GO:0044456, synapse part, subsample4]
MTD sample[4]-custom[2] [EFO, EFO:0000916, visual cortex, subsample4]
MTD assay[1]-quantification_reagent [PRIDE, PRIDE:0000114, iTRAQ reagent 114, subsample1]
MTD assay[1]-sample_ref sample[1]
MTD assay[1]-ms_run_ref ms_run[1]
MTD assay[2]-quantification_reagent [PRIDE, PRIDE:0000115, iTRAQ reagent 115, subsample2]
MTD assay[2]-sample_ref sample[2]
MTD assay[2]-ms_run_ref ms_run[1]
MTD assay[3]-quantification_reagent [PRIDE, PRIDE:0000116, iTRAQ reagent 116, subsample3]
MTD assay[3]-sample_ref sample[3]
MTD assay[3]-ms_run_ref ms_run[1]
MTD assay[4]-quantification_reagent [PRIDE, PRIDE:0000117, iTRAQ reagent 117, subsample4]
MTD assay[4]-sample_ref sample[4]
MTD assay[4]-ms_run_ref ms_run[1]
COM Only variable modifications can be reported when the original source is a PRIDE XML file
PRH accession description taxid species database database_version search_engine best_search_engine_score[1] search_engine_score[1]_ms_run[1] num_psms_ms_run[1] num_peptides_distinct_ms_run[1] num_peptides_unique_ms_run[1] ambiguity_members modifications protein_coverage protein_abundance_assay[1] protein_abundance_assay[2] protein_abundance_assay[3] protein_abundance_assay[4]
PRT 223462890 Spna2 protein [Mus musculus] 10090 Mus musculus (Mouse) NCBInr_2010_10 nr_101020.fasta [MS, MS:1001207, Mascot, ] 6539.67 6539.67 157 92 null null null 0 1 0.853 0.864 0.791
PSH sequence PSM_ID accession unique database database_version search_engine search_engine_score[1] modifications retention_time charge exp_mass_to_charge calc_mass_to_charge spectra_ref pre post start end
PSM QQVLDR 1661 223462890 null NCBInr_2010_10 nr_101020.fasta [MS, MS:1001207, Mascot, ] 37.76 0-MOD:01499 null 1 902.482117 902.518133 ms_run[1]:spectrum=1661 R Y 20 25
PSM LVQYLR 2280 223462890 null NCBInr_2010_10 nr_101020.fasta [MS, MS:1001207, Mascot, ] 44.64 0-MOD:01499 null 1 935.577454 935.580003 ms_run[1]:spectrum=2280 K E 151 156
PSM LVQYLR 2281 223462890 null NCBInr_2010_10 nr_101020.fasta [MS, MS:1001207, Mascot, ] 44.76 0-MOD:01499 null 1 935.583252 935.580003 ms_run[1]:spectrum=2281 K E 151 156
PSM LQQLFR 2537 223462890 null NCBInr_2010_10 nr_101020.fasta [MS, MS:1001207, Mascot, ] 45.41 0-MOD:01499 null 1 948.595581 948.575253 ms_run[1]:spectrum=2537 R D 786 791
PSM EAGSVSLR 2809 223462890 null NCBInr_2010_10 nr_101020.fasta [MS, MS:1001207, Mascot, ] 55.05 0-MOD:01499 null 1 962.509827 962.539253 ms_run[1]:spectrum=2809 K M 1058 1065
PSM LSILSEER 5465 223462890 null NCBInr_2010_10 nr_101020.fasta [MS, MS:1001207, Mascot, ] 39.82 0-MOD:01499 null 1 1090.623169 1090.622983 ms_run[1]:spectrum=5465 K T 442 449
PSM IDGITIQAR 6333 223462890 null NCBInr_2010_10 nr_101020.fasta [MS, MS:1001207, Mascot, ] 65.64 0-MOD:01499 null 1 1130.69458 1130.665513 ms_run[1]:spectrum=6333 R Q 734 742
PSM LFGAAEVQR 6418 223462890 null NCBInr_2010_10 nr_101020.fasta [MS, MS:1001207, Mascot, ] 57.63 0-MOD:01499 null 1 1134.634888 1134.639293 ms_run[1]:spectrum=6418 K F 251 259
PSM LFGAAEVQR 6420 223462890 null NCBInr_2010_10 nr_101020.fasta [MS, MS:1001207, Mascot, ] 48.86 0-MOD:01499 null 1 1134.64624 1134.639293 ms_run[1]:spectrum=6420 K F 251 259
PSM DLTGVQNLR 6915 223462890 null NCBInr_2010_10 nr_101020.fasta [MS, MS:1001207, Mascot, ] 49.74 0-MOD:01499 null 1 1159.643921 1159.655683 ms_run[1]:spectrum=6915 R K 1800 1808
PSM LGDSHDLQR 7536 223462890 null NCBInr_2010_10 nr_101020.fasta [MS, MS:1001207, Mascot, ] 36.23 0-MOD:01499 null 1 1184.487671 1184.614543 ms_run[1]:spectrum=7536 K F 1335 1343
PSM KQEALVAR 7964 223462890 null NCBInr_2010_10 nr_101020.fasta [MS, MS:1001207, Mascot, ] 47.21 0-MOD:01499,1-MOD:01499 null 1 1202.668945 1202.746446 ms_run[1]:spectrum=7964 K Y 758 765
PSM QGQIDNQTR 7979 223462890 null NCBInr_2010_10 nr_101020.fasta [MS, MS:1001207, Mascot, ] 53.35 0-MOD:01499 null 1 1203.583984 1203.620373 ms_run[1]:spectrum=7979 R I 1046 1054
PSM EFSMMFK 8068 223462890 null NCBInr_2010_10 nr_101020.fasta [MS, MS:1001207, Mascot, ] 42.5 0-MOD:01499,7-MOD:01499 null 1 1207.596069 1207.609896 ms_run[1]:spectrum=8068 K H 2332 2338
PSM SLQQLAEER 8285 223462890 null NCBInr_2010_10 nr_101020.fasta [MS, MS:1001207, Mascot, ] 73.16 0-MOD:01499 null 1 1217.661011 1217.661163 ms_run[1]:spectrum=8285 R S 1217 1225";
const SILAC_CQI: &str = r#"COM This line serves as a size and separator hint for spreadsheet applications. - - - - - - - - - - - - - - - - - - - - - - -
COM Report of a "Complete Quantification report" SILAC experiment, quantification on 2 study variables (control/treatment), 3+3 assays (replicates) reported, identifications reported.
MTD mzTab-version 1.0.0
MTD mzTab-mode Complete
MTD mzTab-type Quantification
MTD description mzTab example file for reporting a summary report of quantification data quantified on the protein level
MTD ms_run[1]-location file://C:/path/to/my/file1.mzML
MTD ms_run[2]-location file://C:/path/to/my/file2.mzML
MTD ms_run[3]-location file://C:/path/to/my/file3.mzML
MTD protein-quantification_unit [PRIDE, PRIDE:0000393, Relative quantification unit,]
MTD protein_search_engine_score[1] [MS,MS:1001171,Mascot:score,]
MTD psm_search_engine_score[1] [MS,MS:1001171,Mascot:score,]
MTD software[1] [MS, MS:1001583, MaxQuant,]
MTD fixed_mod[1] [UNIMOD, UNIMOD:4, Carbamidomethyl, ]
COM Specifiying site and position of search modifications is not mandatory but good practice
MTD fixed_mod[1]-site C
MTD fixed_mod[1]-position Anywhere
MTD variable_mod[1] [UNIMOD, UNIMOD:35, Oxidation, ]
MTD variable_mod[1]-site M
MTD variable_mod[1]-position Anywhere
MTD quantification_method [MS, MS:1001835, SILAC, ]
MTD assay[1]-quantification_reagent [PRIDE, PRIDE:0000326, SILAC light,]
MTD assay[2]-quantification_reagent [PRIDE, PRIDE:0000325, SILAC heavy,]
MTD assay[3]-quantification_reagent [PRIDE, PRIDE:0000326, SILAC light,]
MTD assay[4]-quantification_reagent [PRIDE, PRIDE:0000325, SILAC heavy,]
MTD assay[5]-quantification_reagent [PRIDE, PRIDE:0000326, SILAC light,]
MTD assay[6]-quantification_reagent [PRIDE, PRIDE:0000325, SILAC heavy,]
MTD assay[2]-quantification_mod[1] [UNIMOD, UNIMOD:267, Label:13C(6)15N(4),]
COM Specifiying details of quantification modifications is not mandatory but good practice
MTD assay[2]-quantification_mod[1]-site R
MTD assay[2]-quantification_mod[1]-position Anywhere
MTD assay[2]-quantification_mod[2] [UNIMOD, UNIMOD:259, Label:13C(6)15N(2),]
MTD assay[2]-quantification_mod[2]-site L
MTD assay[2]-quantification_mod[2]-position Anywhere
MTD assay[4]-quantification_mod[1] [UNIMOD, UNIMOD:267, Label:13C(6)15N(4),]
MTD assay[4]-quantification_mod[1]-site R
MTD assay[4]-quantification_mod[1]-position Anywhere
MTD assay[4]-quantification_mod[2] [UNIMOD, UNIMOD:259, Label:13C(6)15N(2),]
MTD assay[4]-quantification_mod[2]-site L
MTD assay[4]-quantification_mod[2]-position Anywhere
MTD assay[6]-quantification_mod[1] [UNIMOD, UNIMOD:267, Label:13C(6)15N(4),]
MTD assay[6]-quantification_mod[1]-site R
MTD assay[6]-quantification_mod[1]-position Anywhere
MTD assay[6]-quantification_mod[2] [UNIMOD, UNIMOD:259, Label:13C(6)15N(2),]
MTD assay[6]-quantification_mod[2]-site L
MTD assay[6]-quantification_mod[2]-position Anywhere
MTD assay[1]-ms_run_ref ms_run[1]
MTD assay[2]-ms_run_ref ms_run[1]
MTD assay[3]-ms_run_ref ms_run[2]
MTD assay[4]-ms_run_ref ms_run[2]
MTD assay[5]-ms_run_ref ms_run[3]
MTD assay[6]-ms_run_ref ms_run[3]
MTD study_variable[1]-assay_refs assay[1],assay[3],assay[5]
MTD study_variable[2]-assay_refs assay[2],assay[4],assay[6]
MTD study_variable[1]-description heat shock response of control
MTD study_variable[2]-description heat shock response of treatment
PRH accession description taxid species database database_version search_engine best_search_engine_score[1] search_engine_score[1]_ms_run[1] search_engine_score[1]_ms_run[2] search_engine_score[1]_ms_run[3] num_psms_ms_run[1] num_psms_ms_run[2] num_psms_ms_run[3] num_peptides_distinct_ms_run[1] num_peptides_distinct_ms_run[2] num_peptides_distinct_ms_run[3] num_peptides_unique_ms_run[1] num_peptides_unique_ms_run[2] num_peptides_unique_ms_run[3] ambiguity_members modifications protein_coverage protein_abundance_assay[1] protein_abundance_assay[2] protein_abundance_assay[3] protein_abundance_assay[4] protein_abundance_assay[5] protein_abundance_assay[6] protein_abundance_study_variable[1] protein_abundance_stdev_study_variable[1] protein_abundance_std_error_study_variable[1] protein_abundance_study_variable[2] protein_abundance_stdev_study_variable[2] protein_abundance_std_error_study_variable[2]
COM Accession Description Taxonomie ID Species Database Version Search Engine best Mascot score Mascot score (HSPRep1) Mascot score (HSPRep2) Mascot score (HSPRep3) PSMs (HSPRep1) PSMs (HSPRep2) PSMs (HSPRep3) Distinct Peptides (HSPRep1) Distinct Peptides (HSPRep2) Distinct Peptides (HSPRep3) Unique Peptides (HSPRep1) Unique Peptides (HSPRep2) Unique Peptides (HSPRep3) Ambiguity Members Modifications Protein Coverage (fraction) Abundance (HSPControlRep1) Abundance (HSPTreatmentRep1) Abundance (HSPControlRep2) Abundance (HSPTreatmentRep2) Abundance (HSPControlRep3) Abundance (HSPTreatmentRep3) Abundance (HSPControl) Standard Deviation (HSPControl) Standard Error (HSPControl) Abundance (HSPTreatment) Standard Deviation (HSPTreatment) Stdandard Error (HSPTreatment)
PRT P63017 Heat shock cognate 71 kDa protein 10090 Mus musculus UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 46 46 26 40 1 1 1 1 1 1 1 1 1 null 0 0.34 44.60127454 1930.618571 37.99134855 1659.350761 26.32448593 1408.464016 36.30570301 9.25425854 5.342948659 1666.14445 261.1435628 150.7713063
PRT P14602 Heat shock protein beta-1 10090 Mus musculus UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 100 100 100 12 3 3 1 3 3 1 2 2 1 Q340U4,Q5K0U2,P8L901,P16627 0 0.12 400.250675 1201.136763 329.8484513 992.5417895 286.5974881 81341.37681 338.8988715 57.36457362 33.11945202 27845.01845 46329.32275 26748.24696
PRT Q8K0U4 Heat shock 70 kDa protein 12A 10090 Mus musculus UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 120 120 null 22 1 0 1 1 0 1 1 0 1 null 0 0.14 3703.367578 1270364.298 4524.070045 1099450.723 2616.197927 112524.8008 3614.545183 957.0324281 552.54293 827446.6074 625010.2036 360849.8093
PRT Q61699 Heat shock protein 105 kDa 10090 Mus musculus UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 30 30 8 14 1 1 1 1 1 1 1 1 1 null 0 0.08 43.91120283 13.33293551 44.37102327 9.046028182 29.17909251 11.67165754 39.15377287 8.64138559 4.989106297 11.35020708 2.161455852 1.247917118
PRT P07901 Heat shock protein HSP 90-alpha 10090 Mus musculus UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 45 45 -5 9 4 3 4 4 3 4 4 3 4 null 12-UNIMOD:35, 98-UNIMOD:35,727-UNIMOD:35 0.21 3.203884813 0.3813336733 3.917537412 9.307189513 2.009982987 0.8119629157 3.043801737 0.9638002458 0.5564503313 3.500162034 5.033640481 2.906173687
PSH sequence PSM_ID accession unique database database_version search_engine search_engine_score[1] modifications spectra_ref retention_time charge exp_mass_to_charge calc_mass_to_charge pre post start end
COM Sequence PSM identifier accession Unqiue Database Database Version Search Engine Mascot score Modifications Spectra Reference Retention Time Charge Experimental m/z Calculated m/z Pre Post Start end
PSM QTQTFTTYSDNQPGVL 1 P63017 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 46 null ms_run[1]:scan=1296 1336.62 3 600.6474638 600.6197 K I 424 439
PSM AVVNGYSASDTVGAGFAQAK 2 Q8K0U4 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 120 null ms_run[1]:scan=1300 1327.08 2 956.9883817 956.9736 K E 261 281
PSM ALLRLHQECEKLK 3 Q61699 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 30 9-UNIMOD:4 ms_run[1]:scan=845 885.62 3 527.6578728 527.6362 R K 262 274
PSM DWYPAHSR 4 P14602 0 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 100 null ms_run[1]:scan=544 571.08 2 516.21 516.2383 R L 21 28
PSM DWYPAHSR 4 Q340U4 0 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 100 null ms_run[1]:scan=544 571.08 2 516.21 516.2383 K E 143 150
PSM DWYPAHSR 4 P16627 0 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 100 null ms_run[1]:scan=544 571.08 2 516.21 516.2383 R M 240 247
PSM MNQSNASPTLDGLFR 5 P14602 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 14 null ms_run[1]:scan=1155 1195.62 3 550.9477381 550.935 - R 1 15
PSM LWPFQVINEAGKPK 6 P14602 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 45 null ms_run[1]:scan=1064 1104.62 3 542.9762487 542.9716 K V 91 104
PSM MIKLGLGIDEDDPTVDDTSAAVTEEMPPLEGDDDTSR 7 P07901 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 45 null ms_run[1]:scan=2849 2876.08 2 1974.396543 1974.3984 R M 692 728
PSM LGLGIDEDDPTVDDTSAAVTEEMPPLEGDDDTSR 8 P07901 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 120 23-UNIMOD:35 ms_run[1]:scan=2584 2611.08 2 1788.285098 1788.2886 K M 695 728
PSM TLTIVDTGIGMTK 9 P07901 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 76 11-UNIMOD:35 ms_run[1]:scan=1092 1132.62 3 450.6037522 450.583 R A 88 100
PSM MPEETQTQDQPMEEEEVETFAFQAEIAQLMSLIINTFYSNK 10 P07901 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 87 0-UNIMOD:35 ms_run[1]:scan=3157 3184.08 2 2405.606618 2405.6084 - E 1 41
PSM QTQTFTTYSDNQPGVL 11 P63017 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 26 null ms_run[2]:scan=1530 1336.62 3 600.6109415 600.6197 K I 424 439
PSM ALLRLHQECEKLK 12 Q61699 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 8 9-UNIMOD:4 ms_run[2]:scan=1079 885.62 3 527.6036448 527.6362 R K 262 274
PSM DWYPAHSR 13 P14602 0 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 100 null ms_run[2]:scan=778 571.08 2 516.21 516.2383 R L 21 28
PSM DWYPAHSR 13 Q340U4 0 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 100 null ms_run[2]:scan=778 571.08 2 516.21 516.2383 K E 143 150
PSM DWYPAHSR 13 P16627 0 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 100 null ms_run[2]:scan=778 571.08 2 516.21 516.2383 R M 240 247
PSM MNQSNASPTLDGLFR 14 P14602 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 13 null ms_run[2]:scan=1389 1195.62 3 550.9312114 550.935 - R 1 15
PSM LWPFQVINEAGKPK 15 P14602 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 33 null ms_run[2]:scan=1298 1104.62 3 542.9670575 542.9716 K V 91 104
PSM MIKLGLGIDEDDPTVDDTSAAVTEEMPPLEGDDDTSR 16 P07901 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] -5 null ms_run[2]:scan=3083 2876.08 2 1974.436352 1974.3984 R M 692 728
PSM TLTIVDTGIGMTK 17 P07901 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 28 null ms_run[2]:scan=1326 1132.62 3 450.583395 450.583 R A 88 100
PSM MPEETQTQDQPMEEEEVETFAFQAEIAQLMSLIINTFYSNK 18 P07901 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 33 null ms_run[2]:scan=3391 3184.08 2 2405.631884 2405.6084 - E 1 41
PSM QTQTFTTYSDNQPGVL 19 P63017 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 40 null ms_run[3]:scan=1062 1336.62 3 600.629071 600.6197 K I 424 439
PSM AVVNGYSASDTVGAGFAQAK 20 Q8K0U4 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 22 null ms_run[3]:scan=1066 1327.08 2 956.9932461 956.9736 K E 261 281
PSM ALLRLHQECEKLK 21 Q61699 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 14 9-UNIMOD:4 ms_run[3]:scan=611 885.62 3 527.6168147 527.6362 R K 262 274
PSM MNQSNASPTLDGLFR 22 P14602 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 12 null ms_run[3]:scan=921 1195.62 3 550.9193765 550.935 - R 1 15
PSM MIKLGLGIDEDDPTVDDTSAAVTEEMPPLEGDDDTSR 23 P07901 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 9 null ms_run[3]:scan=2615 2876.08 2 1974.397537 1974.3984 R M 692 728
PSM LGLGIDEDDPTVDDTSAAVTEEMPPLEGDDDTSR 24 P07901 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 9 23-UNIMOD:35 ms_run[3]:scan=2350 2611.08 2 1788.276486 1788.2886 K M 695 728
PSM TLTIVDTGIGMTK 25 P07901 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 40 null ms_run[3]:scan=858 1132.62 3 450.5823742 450.583 R A 88 100
PSM MPEETQTQDQPMEEEEVETFAFQAEIAQLMSLIINTFYSNK 26 P07901 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 6 12-UNIMOD:35 ms_run[3]:scan=2923 3184.08 2 2405.596441 2405.6084 - E 1 41"#;
const ITRAQ_CQI: &str = r#"COM This line serves as a size and separator hint for spreadsheet applications. - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
COM Report of a minimal "Complete Quantification report" iTRAQ experiment, quantification on 4 study variables (t=0, t=1, t=2, t=3), 4*4 assays (4 replicate experiments) reported, identifications reported.
MTD mzTab-version 1.0.0
MTD mzTab-mode Complete
MTD mzTab-type Quantification
MTD description mzTab example file for reporting a summary report of quantification data quantified on the protein level
MTD protein_search_engine_score[1] [MS, MS:1001171,Mascot:score, ]
MTD psm_search_engine_score[1] [MS,MS:1001171,Mascot:score,]
MTD ms_run[1]-location file://C:/path/to/my/file1.mzML
MTD ms_run[2]-location file://C:/path/to/my/file2.mzML
MTD ms_run[3]-location file://C:/path/to/my/file3.mzML
MTD ms_run[4]-location file://C:/path/to/my/file4.mzML
MTD protein-quantification_unit [PRIDE, PRIDE:0000393, Relative quantification unit, ]
MTD software[1] [MS, MS:1000752, TOPP software, ]
MTD fixed_mod[1] [UNIMOD, UNIMOD:4, Carbamidomethyl, ]
COM Specifiying site and position of search modifications is not mandatory but good practice
MTD fixed_mod[1]-site C
MTD fixed_mod[1]-position Anywhere
MTD fixed_mod[2] [UNIMOD, UNIMOD:214, iTRAQ4plex, ]
MTD fixed_mod[2]-site K
MTD fixed_mod[2]-position Anywhere
MTD fixed_mod[3] [UNIMOD, UNIMOD:214, iTRAQ4plex, ]
MTD fixed_mod[3]-site N-term
MTD fixed_mod[3]-position Any N-term
MTD variable_mod[1] [UNIMOD, UNIMOD:35, Oxidation, ]
MTD variable_mod[1]-site M
MTD variable_mod[1]-position Anywhere
MTD quantification_method [PRIDE,PRIDE:0000313,iTRAQ, ]
MTD assay[1]-quantification_reagent [PRIDE, PRIDE:0000114, iTRAQ reagent 114, ]
MTD assay[2]-quantification_reagent [PRIDE, PRIDE:0000115, iTRAQ reagent 115, ]
MTD assay[3]-quantification_reagent [PRIDE, PRIDE:0000116, iTRAQ reagent 116, ]
MTD assay[4]-quantification_reagent [PRIDE, PRIDE:0000117, iTRAQ reagent 117, ]
MTD assay[5]-quantification_reagent [PRIDE, PRIDE:0000114, iTRAQ reagent 114, ]
MTD assay[6]-quantification_reagent [PRIDE, PRIDE:0000115, iTRAQ reagent 115, ]
MTD assay[7]-quantification_reagent [PRIDE, PRIDE:0000116, iTRAQ reagent 116, ]
MTD assay[8]-quantification_reagent [PRIDE, PRIDE:0000117, iTRAQ reagent 117, ]
MTD assay[9]-quantification_reagent [PRIDE, PRIDE:0000114, iTRAQ reagent 114, ]
MTD assay[10]-quantification_reagent [PRIDE, PRIDE:0000115, iTRAQ reagent 115, ]
MTD assay[11]-quantification_reagent [PRIDE, PRIDE:0000116, iTRAQ reagent 116, ]
MTD assay[12]-quantification_reagent [PRIDE, PRIDE:0000117, iTRAQ reagent 117, ]
MTD assay[13]-quantification_reagent [PRIDE, PRIDE:0000114, iTRAQ reagent 114, ]
MTD assay[14]-quantification_reagent [PRIDE, PRIDE:0000115, iTRAQ reagent 115, ]
MTD assay[15]-quantification_reagent [PRIDE, PRIDE:0000116, iTRAQ reagent 116, ]
MTD assay[16]-quantification_reagent [PRIDE, PRIDE:0000117, iTRAQ reagent 117, ]
MTD assay[1]-ms_run_ref ms_run[1]
MTD assay[2]-ms_run_ref ms_run[1]
MTD assay[3]-ms_run_ref ms_run[1]
MTD assay[4]-ms_run_ref ms_run[1]
MTD assay[5]-ms_run_ref ms_run[2]
MTD assay[6]-ms_run_ref ms_run[2]
MTD assay[7]-ms_run_ref ms_run[2]
MTD assay[8]-ms_run_ref ms_run[2]
MTD assay[9]-ms_run_ref ms_run[3]
MTD assay[10]-ms_run_ref ms_run[3]
MTD assay[11]-ms_run_ref ms_run[3]
MTD assay[12]-ms_run_ref ms_run[3]
MTD assay[13]-ms_run_ref ms_run[4]
MTD assay[14]-ms_run_ref ms_run[4]
MTD assay[15]-ms_run_ref ms_run[4]
MTD assay[16]-ms_run_ref ms_run[4]
MTD study_variable[1]-assay_refs assay[1],assay[6],assay[11],assay[16]
MTD study_variable[2]-assay_refs assay[2],assay[5],assay[12],assay[15]
MTD study_variable[3]-assay_refs assay[3],assay[7],assay[9],assay[14]
MTD study_variable[4]-assay_refs assay[4],assay[8],assay[10],assay[13]
MTD study_variable[1]-description Incubation at t=0
MTD study_variable[2]-description Incubation at t=1
MTD study_variable[3]-description Incubation at t=2
MTD study_variable[4]-description Incubation at t=3
PRH accession description taxid species database database_version search_engine best_search_engine_score[1] search_engine_score[1]_ms_run[1] search_engine_score[1]_ms_run[2] search_engine_score[1]_ms_run[3] search_engine_score[1]_ms_run[4] num_psms_ms_run[1] num_psms_ms_run[2] num_psms_ms_run[3] num_psms_ms_run[4] num_peptides_distinct_ms_run[1] num_peptides_distinct_ms_run[2] num_peptides_distinct_ms_run[3] num_peptides_distinct_ms_run[4] num_peptides_unique_ms_run[1] num_peptides_unique_ms_run[2] num_peptides_unique_ms_run[3] num_peptides_unique_ms_run[4] ambiguity_members modifications protein_coverage protein_abundance_assay[1] protein_abundance_assay[2] protein_abundance_assay[3] protein_abundance_assay[4] protein_abundance_assay[5] protein_abundance_assay[6] protein_abundance_assay[7] protein_abundance_assay[8] protein_abundance_assay[9] protein_abundance_assay[10] protein_abundance_assay[11] protein_abundance_assay[12] protein_abundance_assay[13] protein_abundance_assay[14] protein_abundance_assay[15] protein_abundance_assay[16] protein_abundance_study_variable[1] protein_abundance_stdev_study_variable[1] protein_abundance_std_error_study_variable[1] protein_abundance_study_variable[2] protein_abundance_stdev_study_variable[2] protein_abundance_std_error_study_variable[2] protein_abundance_study_variable[3] protein_abundance_stdev_study_variable[3] protein_abundance_std_error_study_variable[3] protein_abundance_study_variable[4] protein_abundance_stdev_study_variable[4] protein_abundance_std_error_study_variable[4]
COM Accession Description Taxonomie ID Species Database Version Search Engine best Mascot score Mascot score (Run1) Mascot score (Run2) Mascot score (Run3) Mascot score (Run4) PSMs (Run1) PSMs (Run2) PSMs (Run3) PSMs (Run4) Distinct Peptides (Run1) Distinct Peptides (Run2) Distinct Peptides (Run3) Distinct Peptides (Run4) Unique Peptides (Run1) Unique Peptides (Run2) Unique Peptides (Run3) Unique Peptides (Run4) Ambiguity Members Modifications Protein Coverage (fraction) Abundance (t=0_114) Abundance (t=1_115) Abundance (t=2_116) Abundance (t=3_117) Abundance (t=1_114) Abundance (t=0_115) Abundance (t=3_116) Abundance (t=2_117) Abundance (t=2_114) Abundance (t=3_115) Abundance (t=0_116) Abundance (t=1_117) Abundance (t=3_114) Abundance (t=2_115) Abundance (t=1_116) Abundance (t=0_117) Abundance (t=0) Standard Deviation (t=0) Standard Error (t=0) Abundance (t=1) Standard Deviation (t=1) Standard Error (t=1) Abundance (t=2) Standard Deviation (t=2) Standard Error (t=2) Abundance (t=3) Standard Deviation (t=3) Standard Error (t=3)
PRT P63017 Heat shock cognate 71 kDa protein 10090 Mus musculus UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 46 46 26 5 -3 1 1 1 1 1 1 1 1 1 1 1 1 null 0 0.34 17.3 45.4 234.3 26.7 45.82252834 20.34470807 31.44819833 271.9769613 286.1141095 31.6970172 16.51509633 68.77899312 30.84439527 283.0325889 54.48687448 16.18702563 17.58670751 1.897035247 1.095253811 53.62209899 10.93793842 6.315021691 268.8559149 23.82348667 13.75449644 30.1724027 2.342453014 1.352415878
PRT P14602 Heat shock protein beta-1 10090 Mus musculus UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 100 14 100 -6 20 2 3 1 2 2 3 1 2 2 2 1 2 Q340U4,Q5K0U2,P8L901,P16627 0 0.12 343.54 643.4 2353 0.82 893.3569959 509.3562129 0.8703280099 2369.88544 2659.337273 1.013956057 477.9996074 1031.539362 1.135622127 3564.408615 1157.260777 211.1783086 385.5185322 136.6811754 78.91291343 931.3892837 220.1758783 127.1186026 2736.657832 569.4632404 328.7797552 0.9599765485 0.1430564589 0.08259368505
PRT Q8K0U4 Heat shock 70 kDa protein 12A 10090 Mus musculus UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 120 120 120 21 39 1 1 1 1 1 1 1 1 1 1 1 1 null 0 0.14 6453.4 21.3 234.3 25.5 24.57083049 9725.949445 27.79987837 342.4708472 339.1391885 27.61650271 7419.782843 24.96532034 27.59736459 334.3343844 31.14666952 9003.08556 8150.554462 1485.826263 857.842193 25.49570509 4.109908402 2.372856722 312.561105 52.28085519 30.18436582 27.12843642 1.089455797 0.6289975977
PRT Q61699 Heat shock protein 105 kDa 10090 Mus musculus UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 31 30 12 31 -2 1 1 1 1 1 1 1 1 1 1 1 1 null 0 0.08 346534.4 1232.5 54.2 1654.6 1715.04997 363520.6744 2977.115494 70.14750308 70.517314 1748.483298 181075.9557 1318.408071 2144.86276 62.7205008 1322.671448 352462.8461 310898.4691 86834.13016 50133.70842 1397.157372 215.960922 124.6850964 64.39632947 7.687998998 4.438668291 2131.265388 602.599732 347.9111175
PRT P07901 Heat shock protein HSP 90-alpha 10090 Mus musculus UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 45 45 14 19 35 4 3 4 3 4 3 4 3 4 3 4 3 null 0-UNIMOD:35, 12-UNIMOD:35, 98-UNIMOD:35,727-UNIMOD:35 0.21 6434.6 123.3 234.3 110.2 158.9389923 6475.205011 177.6867536 266.8830076 251.6690321 121.5177559 5413.126383 125.5419061 116.8450207 242.6034553 136.2170466 5812.480954 6033.853087 513.061683 296.2163008 135.9994863 16.29832511 9.409842388 248.8638737 13.95059563 8.05438014 131.5623826 31.09825426 17.95458547
PSH sequence PSM_ID accession unique database database_version search_engine search_engine_score[1] modifications spectra_ref retention_time charge exp_mass_to_charge calc_mass_to_charge pre post start end
COM Sequence PSM identifier accession Unqiue Database Database Version Search Engine Mascot score Modifications Spectra Reference Retention Time Charge Experimental m/z Calculated m/z Pre Post Start end
PSM QTQTFTTYSDNQPGVL 1 P63017 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 46 0-UNIMOD:214 ms_run[1]:scan=1296 1336.62 3 600.6218923 600.6197 K I 424 439
PSM AVVNGYSASDTVGAGFAQAK 2 Q8K0U4 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 120 0-UNIMOD:214,20-UNIMOD:214 ms_run[1]:scan=1300 1327.08 2 956.9534673 956.9736 K E 261 281
PSM ALLRLHQECEKLK 3 Q61699 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 30 0-UNIMOD:214,9-UNIMOD:4,11-UNIMOD:214,13-UNIMOD:214 ms_run[1]:scan=845 885.62 3 527.6131796 527.6362 R K 262 274
PSM MNQSNASPTLDGLFR 4 P14602 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 14 0-UNIMOD:214 ms_run[1]:scan=1155 1195.62 3 550.9127359 550.935 - R 1 15
PSM LWPFQVINEAGKPK 5 P14602 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 45 0-UNIMOD:214,12-UNIMOD:214,14-UNIMOD:214 ms_run[1]:scan=1064 1104.62 3 542.9870349 542.9716 K V 91 104
PSM MIKLGLGIDEDDPTVDDTSAAVTEEMPPLEGDDDTSR 6 P07901 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 45 0-UNIMOD:214,3-UNIMOD:214 ms_run[1]:scan=2849 2876.08 2 1974.399785 1974.3984 R M 692 728
PSM LGLGIDEDDPTVDDTSAAVTEEMPPLEGDDDTSR 7 P07901 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 120 0-UNIMOD:214,23-UNIMOD:35 ms_run[1]:scan=2584 2611.08 2 1788.285564 1788.2886 K M 695 728
PSM TLTIVDTGIGMTK 8 P07901 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 76 0-UNIMOD:214,11-UNIMOD:35,13-UNIMOD:214 ms_run[1]:scan=1092 1132.62 3 450.5826992 450.583 R A 88 100
PSM MPEETQTQDQPMEEEEVETFAFQAEIAQLMSLIINTFYSNK 9 P07901 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 87 0-UNIMOD:214,41-UNIMOD:214 ms_run[1]:scan=3157 3184.08 2 2405.61108 2405.6084 - E 1 41
PSM QTQTFTTYSDNQPGVL 10 P63017 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 26 0-UNIMOD:214 ms_run[2]:scan=1530 1336.62 3 600.6243317 600.6197 K I 424 439
PSM AVVNGYSASDTVGAGFAQAK 11 Q8K0U4 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 120 0-UNIMOD:214,20-UNIMOD:214 ms_run[2]:scan=1534 1327.08 2 956.9697829 956.9736 K E 261 281
PSM ALLRLHQECEKLK 12 Q61699 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 27 0-UNIMOD:214,9-UNIMOD:4,11-UNIMOD:214,13-UNIMOD:214 ms_run[2]:scan=1079 885.62 3 527.6286638 527.6362 R K 262 274
PSM DWYPAHSR 13 P14602 0 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 100 0-UNIMOD:214 ms_run[2]:scan=778 571.08 2 516.21 516.2383 R L 21 28
PSM DWYPAHSR 13 Q340U4 0 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 100 0-UNIMOD:214 ms_run[2]:scan=778 571.08 2 516.21 516.2383 K E 143 150
PSM DWYPAHSR 13 P16627 0 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 100 0-UNIMOD:214 ms_run[2]:scan=778 571.08 2 516.21 516.2383 R M 240 247
PSM MNQSNASPTLDGLFR 14 P14602 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 33 0-UNIMOD:214 ms_run[2]:scan=1389 1195.62 3 550.9230929 550.935 - R 1 15
PSM LWPFQVINEAGKPK 15 P14602 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 8 0-UNIMOD:214,12-UNIMOD:214,14-UNIMOD:214 ms_run[2]:scan=1298 1104.62 3 542.9873474 542.9716 K V 91 104
PSM MIKLGLGIDEDDPTVDDTSAAVTEEMPPLEGDDDTSR 16 P07901 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 14 0-UNIMOD:214,3-UNIMOD:214 ms_run[2]:scan=3083 2876.08 2 1974.379186 1974.3984 R M 692 728
PSM TLTIVDTGIGMTK 17 P07901 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 40 0-UNIMOD:214,13-UNIMOD:214 ms_run[2]:scan=1326 1132.62 3 450.5778381 450.583 R A 88 100
PSM MPEETQTQDQPMEEEEVETFAFQAEIAQLMSLIINTFYSNK 18 P07901 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 25 0-UNIMOD:214,41-UNIMOD:214 ms_run[2]:scan=3391 3184.08 2 2405.596577 2405.6084 - E 1 41
PSM QTQTFTTYSDNQPGVL 19 P63017 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 3 0-UNIMOD:214 ms_run[3]:scan=1062 1336.62 3 600.6219355 600.6197 K I 424 439
PSM AVVNGYSASDTVGAGFAQAK 20 Q8K0U4 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 24 0-UNIMOD:214,20-UNIMOD:214 ms_run[3]:scan=1066 1327.08 2 956.9720273 956.9736 K E 261 281
PSM ALLRLHQECEKLK 21 Q61699 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] -4 0-UNIMOD:214,9-UNIMOD:4,11-UNIMOD:214,13-UNIMOD:214 ms_run[3]:scan=611 885.62 3 527.651719 527.6362 R K 262 274
PSM MNQSNASPTLDGLFR 22 P14602 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 29 0-UNIMOD:214 ms_run[3]:scan=921 1195.62 3 550.9221479 550.935 - R 1 15
PSM MIKLGLGIDEDDPTVDDTSAAVTEEMPPLEGDDDTSR 23 P07901 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 39 0-UNIMOD:214,3-UNIMOD:214 ms_run[3]:scan=2615 2876.08 2 1974.419328 1974.3984 R M 692 728
PSM LGLGIDEDDPTVDDTSAAVTEEMPPLEGDDDTSR 24 P07901 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 34 0-UNIMOD:214 ms_run[3]:scan=2350 2611.08 2 1788.298223 1788.2886 K M 695 728
PSM TLTIVDTGIGMTK 25 P07901 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 14 0-UNIMOD:214,13-UNIMOD:214 ms_run[3]:scan=858 1132.62 3 450.5423216 450.583 R A 88 100
PSM MPEETQTQDQPMEEEEVETFAFQAEIAQLMSLIINTFYSNK 26 P07901 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 20 0-UNIMOD:214,41-UNIMOD:214 ms_run[3]:scan=2923 3184.08 2 2405.620339 2405.6084 - E 1 41
PSM QTQTFTTYSDNQPGVL 27 P63017 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] -3 null ms_run[4]:scan=2731 1336.62 3 600.6123009 600.6197 K I 424 439
PSM AVVNGYSASDTVGAGFAQAK 28 Q8K0U4 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 39 null ms_run[4]:scan=2735 1327.08 2 956.9765302 956.9736 K E 261 281
PSM ALLRLHQECEKLK 29 Q61699 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] -2 9-UNIMOD:4 ms_run[4]:scan=2280 885.62 3 527.6343404 527.6362 R K 262 274
PSM MNQSNASPTLDGLFR 30 P14602 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 20 null ms_run[4]:scan=2590 1195.62 3 550.9284574 550.935 - R 1 15
PSM LWPFQVINEAGKPK 31 P14602 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] -3 null ms_run[4]:scan=2499 1104.62 3 542.9715699 542.9716 K V 91 104
PSM MIKLGLGIDEDDPTVDDTSAAVTEEMPPLEGDDDTSR 32 P07901 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 35 null ms_run[4]:scan=4284 2876.08 2 1974.40429 1974.3984 R M 692 728
PSM LGLGIDEDDPTVDDTSAAVTEEMPPLEGDDDTSR 33 P07901 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 0 23-UNIMOD:35 ms_run[4]:scan=4019 2611.08 2 1788.289062 1788.2886 K M 695 728
PSM MPEETQTQDQPMEEEEVETFAFQAEIAQLMSLIINTFYSNK 34 P07901 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 11 0-UNIMOD:35 ms_run[4]:scan=4592 3184.08 2 2405.57421 2405.6084 - E 1 41"#;
const ITRAQ_SQI: &str = r#"COM This line serves as a size and separator hint for spreadsheet applications. - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
COM Report of a minimal Summary Quantification report" iTRAQ experiment, quantification on 4 study variables (t=0, t=1, t=2, t=3) reported, identifications reported.
MTD mzTab-version 1.0.0
MTD mzTab-mode Summary
MTD mzTab-type Quantification
MTD description mzTab example file for reporting a summary report of quantification data quantified on the protein level
MTD protein_search_engine_score[1] [MS, MS:1001171, Mascot:score,]
MTD psm_search_engine_score[1] [MS, MS:1001171, Mascot:score,]
MTD ms_run[1]-location file://C:/path/to/my/file1.mzML
MTD ms_run[2]-location file://C:/path/to/my/file2.mzML
MTD ms_run[3]-location file://C:/path/to/my/file3.mzML
MTD protein-quantification_unit [PRIDE, PRIDE:0000393, Relative quantification unit,]
MTD fixed_mod[1] [UNIMOD, UNIMOD:4, Carbamidomethyl, ]
MTD fixed_mod[2] [UNIMOD, UNIMOD:214, iTRAQ4plex, ]
MTD variable_mod[1] [UNIMOD, UNIMOD:35, Oxidation, ]
MTD study_variable[1]-description sample incubation at t=0
MTD study_variable[2]-description sample incubation at t=1
MTD study_variable[3]-description sample incubation at t=2
MTD study_variable[4]-description sample incubation at t=3
PRH accession description taxid species database database_version search_engine best_search_engine_score[1] ambiguity_members modifications protein_abundance_study_variable[1] protein_abundance_stdev_study_variable[1] protein_abundance_std_error_study_variable[1] protein_abundance_study_variable[2] protein_abundance_stdev_study_variable[2] protein_abundance_std_error_study_variable[2] protein_abundance_study_variable[3] protein_abundance_stdev_study_variable[3] protein_abundance_std_error_study_variable[3] protein_abundance_study_variable[4] protein_abundance_stdev_study_variable[4] protein_abundance_std_error_study_variable[4]
COM Accession Description Taxonomie ID Species Database Version Search Engine best Mascot score Ambiguity Members Modifications Abundance (t=0) Standard Deviation (t=0) Standard Error (t=0) Abundance (t=1) Standard Deviation (t=1) Standard Error (t=1) Abundance (t=2) Standard Deviation (t=2) Standard Error (t=2) Abundance (t=3) Standard Deviation (t=3) Standard Error (t=3)
PRT P63017 Heat shock cognate 71 kDa protein 10090 Mus musculus UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 46 null 0 14.361 3.6605 2.1134 53.695 11.73 6.7722 276.59 45.934 26.52 29.767 3.1318 1.8082
PRT P14602 Heat shock protein beta-1 10090 Mus musculus UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 100 Q340U4,Q5K0U2,P8L901,P16627 0 261.98 162.3 93.702 777.09 217.99 125.85 2865.4 514.48 297.04 0.8993 0.0893 0.0516
PRT Q8K0U4 Heat shock 70 kDa protein 12A 10090 Mus musculus UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 120 null 0 7707.3 1310.5 756.62 23.923 5.0532 2.9175 270.59 33.407 19.287 28.595 2.9196 1.6856
PRT Q61699 Heat shock protein 105 kDa 10090 Mus musculus UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 30 null 0 381591 92914 53644 1424 320.51 185.04 63.366 6.6935 3.8645 1737.5 70.203 40.532
PRT P07901 Heat shock protein HSP 90-alpha 10090 Mus musculus UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 45 null 0-UNIMOD:35, 12-UNIMOD:35, 98-UNIMOD:35,727-UNIMOD:35 10051 2453.1 1416.3 130.13 7.2703 4.1975 278.63 36.593 21.127 126.18 11.102 6.4098
PSH sequence PSM_ID accession unique database database_version search_engine search_engine_score[1] modifications spectra_ref retention_time charge exp_mass_to_charge calc_mass_to_charge pre post start end
COM Sequence PSM identifier accession Unqiue Database Database Version Search Engine Mascot score Modifications Spectra Reference Retention Time Charge Experimental m/z Calculated m/z Pre Post Start end
PSM QTQTFTTYSDNQPGVL 1 P63017 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 46 0-UNIMOD:214 ms_run[1]:scan=1296 1336.62 3 600.62 600.62 K I 424 439
PSM AVVNGYSASDTVGAGFAQAK 2 Q8K0U4 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 120 0-UNIMOD:214,20-UNIMOD:214 ms_run[1]:scan=1300 1327.08 2 956.98 956.974 K E 261 281
PSM ALLRLHQECEKLK 3 Q61699 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 30 0-UNIMOD:214,9-UNIMOD:4,11-UNIMOD:214,13-UNIMOD:214 ms_run[1]:scan=845 885.62 3 527.635 527.636 R K 262 274
PSM MNQSNASPTLDGLFR 4 P14602 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 14 0-UNIMOD:214 ms_run[1]:scan=1155 1195.62 3 550.945 550.935 - R 1 15
PSM LWPFQVINEAGKPK 5 P14602 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 45 0-UNIMOD:214,12-UNIMOD:214,14-UNIMOD:214 ms_run[1]:scan=1064 1104.62 3 542.972 542.972 K V 91 104
PSM MIKLGLGIDEDDPTVDDTSAAVTEEMPPLEGDDDTSR 6 P07901 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 45 0-UNIMOD:214,3-UNIMOD:214 ms_run[1]:scan=2849 2876.08 2 1974.37 1974.4 R M 692 728
PSM LGLGIDEDDPTVDDTSAAVTEEMPPLEGDDDTSR 7 P07901 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 120 0-UNIMOD:214,23-UNIMOD:35 ms_run[1]:scan=2584 2611.08 2 1788.29 1788.29 K M 695 728
PSM TLTIVDTGIGMTK 8 P07901 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 76 0-UNIMOD:214,11-UNIMOD:35,13-UNIMOD:214 ms_run[1]:scan=1092 1132.62 3 450.551 450.583 R A 88 100
PSM MPEETQTQDQPMEEEEVETFAFQAEIAQLMSLIINTFYSNK 9 P07901 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 87 0-UNIMOD:214,41-UNIMOD:214 ms_run[1]:scan=3157 3184.08 2 2405.58 2405.61 - E 1 41
PSM QTQTFTTYSDNQPGVL 10 P63017 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 26 0-UNIMOD:214 ms_run[2]:scan=1530 1336.62 3 600.618 600.62 K I 424 439
PSM AVVNGYSASDTVGAGFAQAK 11 Q8K0U4 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 120 0-UNIMOD:214,20-UNIMOD:214 ms_run[2]:scan=1534 1327.08 2 956.98 956.974 K E 261 281
PSM ALLRLHQECEKLK 12 Q61699 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 12 0-UNIMOD:214,9-UNIMOD:4,11-UNIMOD:214,13-UNIMOD:214 ms_run[2]:scan=1079 885.62 3 527.625 527.636 R K 262 274
PSM DWYPAHSR 13 P14602 0 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 100 0-UNIMOD:214 ms_run[2]:scan=778 571.08 2 516.21 516.238 R L 21 28
PSM DWYPAHSR 13 Q340U4 0 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 100 0-UNIMOD:214 ms_run[2]:scan=778 571.08 2 516.21 516.238 K E 143 150
PSM DWYPAHSR 13 P16627 0 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 100 0-UNIMOD:214 ms_run[2]:scan=778 571.08 2 516.21 516.238 R M 240 247
PSM MNQSNASPTLDGLFR 14 P14602 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] -4 0-UNIMOD:214 ms_run[2]:scan=1389 1195.62 3 550.935 550.935 - R 1 15
PSM LWPFQVINEAGKPK 15 P14602 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 8 0-UNIMOD:214,12-UNIMOD:214,14-UNIMOD:214 ms_run[2]:scan=1298 1104.62 3 542.994 542.972 K V 91 104
PSM MIKLGLGIDEDDPTVDDTSAAVTEEMPPLEGDDDTSR 16 P07901 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] -4 0-UNIMOD:214,3-UNIMOD:214 ms_run[2]:scan=3083 2876.08 2 1974.39 1974.4 R M 692 728
PSM TLTIVDTGIGMTK 17 P07901 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] -7 0-UNIMOD:214,13-UNIMOD:214 ms_run[2]:scan=1326 1132.62 3 450.584 450.583 R A 88 100
PSM MPEETQTQDQPMEEEEVETFAFQAEIAQLMSLIINTFYSNK 18 P07901 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 28 0-UNIMOD:214,41-UNIMOD:214 ms_run[2]:scan=3391 3184.08 2 2405.62 2405.61 - E 1 41
PSM QTQTFTTYSDNQPGVL 19 P63017 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] -2 0-UNIMOD:214 ms_run[3]:scan=1062 1336.62 3 600.615 600.62 K I 424 439
PSM AVVNGYSASDTVGAGFAQAK 20 Q8K0U4 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 28 0-UNIMOD:214,20-UNIMOD:214 ms_run[3]:scan=1066 1327.08 2 956.979 956.974 K E 261 281
PSM ALLRLHQECEKLK 21 Q61699 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 8 0-UNIMOD:214,9-UNIMOD:4,11-UNIMOD:214,13-UNIMOD:214 ms_run[3]:scan=611 885.62 3 527.631 527.636 R K 262 274
PSM MNQSNASPTLDGLFR 22 P14602 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 3 0-UNIMOD:214 ms_run[3]:scan=921 1195.62 3 550.924 550.935 - R 1 15
PSM MIKLGLGIDEDDPTVDDTSAAVTEEMPPLEGDDDTSR 23 P07901 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 25 0-UNIMOD:214,3-UNIMOD:214 ms_run[3]:scan=2615 2876.08 2 1974.42 1974.4 R M 692 728
PSM LGLGIDEDDPTVDDTSAAVTEEMPPLEGDDDTSR 24 P07901 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] -10 0-UNIMOD:214 ms_run[3]:scan=2350 2611.08 2 1788.29 1788.29 K M 695 728
PSM TLTIVDTGIGMTK 25 P07901 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 26 0-UNIMOD:214,13-UNIMOD:214 ms_run[3]:scan=858 1132.62 3 450.599 450.583 R A 88 100
PSM MPEETQTQDQPMEEEEVETFAFQAEIAQLMSLIINTFYSNK 26 P07901 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] -7 0-UNIMOD:214,41-UNIMOD:214 ms_run[3]:scan=2923 3184.08 2 2405.62 2405.61 - E 1 41"#;
const LABELFREE_CQI: &str = r#"COM This line serves as a size and separator hint for spreadsheet applications. - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
COM Report of a minimal "Complete Quantification report" label free experiment, quantification on 2 study variables (control/treatment), 3+3 assays (replicates) reported,identifications reported.
MTD mzTab-version 1.0.0
MTD mzTab-mode Complete
MTD mzTab-type Quantification
MTD description mzTab example file for reporting a summary report of quantification data quantified on the protein level
MTD protein_search_engine_score[1] [MS,MS:1001171,Mascot:score,]
MTD psm_search_engine_score[1] [MS,MS:1001171,Mascot:score,]
MTD ms_run[1]-location file://C:/path/to/my/file1.mzML
MTD ms_run[2]-location file://C:/path/to/my/file2.mzML
MTD ms_run[3]-location file://C:/path/to/my/file3.mzML
MTD ms_run[4]-location file://C:/path/to/my/file4.mzML
MTD ms_run[5]-location file://C:/path/to/my/file5.mzML
MTD ms_run[6]-location file://C:/path/to/my/file6.mzML
MTD protein-quantification_unit [PRIDE, PRIDE:0000393, Relative quantification unit,]
MTD software[1] [MS, MS:1000752, TOPP software,]
MTD fixed_mod[1] [UNIMOD, UNIMOD:4, Carbamidomethyl, ]
MTD variable_mod[1] [UNIMOD, UNIMOD:35, Oxidation, ]
MTD quantification_method [MS, MS:1002038, unlabeled sample, ]
MTD assay[1]-quantification_reagent [MS, MS:1002038, unlabeled sample, ]
MTD assay[2]-quantification_reagent [MS, MS:1002038, unlabeled sample, ]
MTD assay[3]-quantification_reagent [MS, MS:1002038, unlabeled sample, ]
MTD assay[4]-quantification_reagent [MS, MS:1002038, unlabeled sample, ]
MTD assay[5]-quantification_reagent [MS, MS:1002038, unlabeled sample, ]
MTD assay[6]-quantification_reagent [MS, MS:1002038, unlabeled sample, ]
MTD assay[1]-ms_run_ref ms_run[1]
MTD assay[2]-ms_run_ref ms_run[2]
MTD assay[3]-ms_run_ref ms_run[3]
MTD assay[4]-ms_run_ref ms_run[4]
MTD assay[5]-ms_run_ref ms_run[5]
MTD assay[6]-ms_run_ref ms_run[6]
MTD study_variable[1]-assay_refs assay[1], assay[2], assay[3]
MTD study_variable[2]-assay_refs assay[4], assay[5], assay[6]
MTD study_variable[1]-description heat shock response of control
MTD study_variable[2]-description heat shock response of treatment
PRH accession description taxid species database database_version search_engine best_search_engine_score[1] search_engine_score[1]_ms_run[1] search_engine_score[1]_ms_run[2] search_engine_score[1]_ms_run[3] search_engine_score[1]_ms_run[4] search_engine_score[1]_ms_run[5] search_engine_score[1]_ms_run[6] num_psms_ms_run[1] num_psms_ms_run[2] num_psms_ms_run[3] num_psms_ms_run[4] num_psms_ms_run[5] num_psms_ms_run[6] num_peptides_distinct_ms_run[1] num_peptides_distinct_ms_run[2] num_peptides_distinct_ms_run[3] num_peptides_distinct_ms_run[4] num_peptides_distinct_ms_run[5] num_peptides_distinct_ms_run[6] num_peptides_unique_ms_run[1] num_peptides_unique_ms_run[2] num_peptides_unique_ms_run[3] num_peptides_unique_ms_run[4] num_peptides_unique_ms_run[5] num_peptides_unique_ms_run[6] ambiguity_members modifications protein_coverage protein_abundance_assay[1] protein_abundance_assay[2] protein_abundance_assay[3] protein_abundance_assay[4] protein_abundance_assay[5] protein_abundance_assay[6] protein_abundance_study_variable[1] protein_abundance_stdev_study_variable[1] protein_abundance_std_error_study_variable[1] protein_abundance_study_variable[2] protein_abundance_stdev_study_variable[2] protein_abundance_std_error_study_variable[2]
COM Accession Description Taxonomie ID Species Database Version Search Engine best Mascot score Mascot score (HSPControlRep1) Mascot score (HSPControlRep2) Mascot score (HSPControlRep3) Mascot score (HSPTreatmentRep1) Mascot score (HSPTreatmentRep2) Mascot score (HSPTreatmentRep3) PSMs (HSPControlRep1) PSMs (HSPControlRep2) PSMs (HSPControlRep3) PSMs (HSPTreatmentRep4) PSMs (HSPTreatmentRep5) PSMs (HSPTreatmentRep6) Distinct Peptides (HSPControlRep1) Distinct Peptides (HSPControlRep2) Distinct Peptides (HSPControlRep3) Distinct Peptides (HSPTreatmentRep4) Distinct Peptides (HSPTreatmentRep5) Distinct Peptides (HSPTreatmentRep6) Unique Peptides (HSPControlRep1) Unique Peptides (HSPControlRep2) Unique Peptides (HSPControlRep3) Unique Peptides (HSPTreatmentRep4) Unique Peptides (HSPTreatmentRep5) Unique Peptides (HSPTreatmentRep6) Ambiguity Members Modifications Protein Coverage (fraction) Abundance (HSPTreatmentRep1) Abundance (HSPTreatmentRep2) Abundance (HSPTreatmentRep3) Abundance (HSPTreatmentRep4) Abundance (HSPTreatmentRep5) Abundance (HSPTreatmentRep6) Abundance (HSPControl) Standard Deviation (HSPControl) Standard Error (HSPControl) Abundance (HSPTreatment) Standard Deviation (HSPTreatment) Standard Error (HSPTreatment)
PRT P63017 Heat shock cognate 71 kDa protein 10090 Mus musculus UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 46 46 26 36 -3 -1 null 1 1 1 1 1 0 1 1 1 1 1 0 1 1 1 1 1 0 null 0 0.34 34.3 40.43507695 41.12124635 266.9554147 234.4 271.0324163 38.61877444 3.755870949 2.168453103 257.4626103 20.07656548 11.59121048
PRT P14602 Heat shock protein beta-1 10090 Mus musculus UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 100 100 100 -9 20 100 4 3 3 1 2 3 2 3 3 1 2 3 2 2 2 1 2 2 1 Q340U4,Q5K0U2,P8L901,P16627 0 0.12 98588.4 114212.9033 100070.7061 4709.411242 4345.7 6704.588342 104290.6698 8624.809914 4979.536326 5253.233195 1269.998146 733.2337713
PRT Q8K0U4 Heat shock 70 kDa protein 12A 10090 Mus musculus UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 120 120 null -2 39 36 -7 1 0 1 1 1 1 1 0 1 1 1 1 1 0 1 1 1 1 null 0 0.14 43.4 86.09123822 54.98032306 459.4934179 375.5 609.3477328 61.49052043 22.0776461 12.74653492 481.4470502 118.4595375 68.39264584
PRT Q61699 Heat shock protein 105 kDa 10090 Mus musculus UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 36 30 31 36 -2 31 24 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 null 0 0.08 3432.54 3847.349077 3838.448278 11372.30364 9587.5 10303.56594 3706.112452 236.9624883 136.8103564 10421.12319 898.190283 518.5704017
PRT P07901 Heat shock protein HSP 90-alpha 10090 Mus musculus UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 45 45 6 -2 35 8 3 4 3 4 3 2 4 4 3 4 3 2 4 4 3 4 3 2 4 null 12-UNIMOD:35, 98-UNIMOD:35,727-UNIMOD:35 0.21 3242354.3 3284123.069 3404460.592 633072.591 552426.4 618457.6276 3310312.654 84166.6994 48593.66656 601318.8729 42968.06623 24807.6246
PSH sequence PSM_ID accession unique database database_version search_engine search_engine_score[1] modifications spectra_ref retention_time charge exp_mass_to_charge calc_mass_to_charge pre post start end
COM Sequence PSM identifier accession Unqiue Database Database Version Search Engine Mascot score Modifications Spectra Reference Retention Time Charge Experimental m/z Calculated m/z Pre Post Start End
PSM QTQTFTTYSDNQPGVL 1 P63017 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 46 null ms_run[1]:scan=1296 1336.62 3 600.6006697 600.6197 K I 424 439
PSM AVVNGYSASDTVGAGFAQAK 2 Q8K0U4 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 120 null ms_run[1]:scan=1300 1327.08 2 956.9464833 956.9736 K E 261 281
PSM ALLRLHQECEKLK 3 Q61699 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 30 9-UNIMOD:4 ms_run[1]:scan=845 885.62 3 527.6406579 527.6362 R K 262 274
PSM DWYPAHSR 4 P14602 0 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 100 null ms_run[1]:scan=544 571.08 2 516.21 516.2383 R L 21 28
PSM DWYPAHSR 4 Q340U4 0 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 100 null ms_run[1]:scan=544 571.08 2 516.21 516.2383 K E 143 150
PSM DWYPAHSR 4 P16627 0 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 100 null ms_run[1]:scan=544 571.08 2 516.21 516.2383 R M 240 247
PSM MNQSNASPTLDGLFR 5 P14602 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 14 null ms_run[1]:scan=1155 1195.62 3 550.9282794 550.935 - R 1 15
PSM LWPFQVINEAGKPK 6 P14602 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 45 null ms_run[1]:scan=1064 1104.62 3 542.9688356 542.9716 K V 91 104
PSM MIKLGLGIDEDDPTVDDTSAAVTEEMPPLEGDDDTSR 7 P07901 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 45 null ms_run[1]:scan=2849 2876.08 2 1974.400793 1974.3984 R M 692 728
PSM LGLGIDEDDPTVDDTSAAVTEEMPPLEGDDDTSR 8 P07901 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 120 23-UNIMOD:35 ms_run[1]:scan=2584 2611.08 2 1788.281997 1788.2886 K M 695 728
PSM TLTIVDTGIGMTK 9 P07901 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 76 11-UNIMOD:35 ms_run[1]:scan=1092 1132.62 3 450.5920214 450.583 R A 88 100
PSM MPEETQTQDQPMEEEEVETFAFQAEIAQLMSLIINTFYSNK 10 P07901 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 87 0-UNIMOD:35 ms_run[1]:scan=3157 3184.08 2 2405.587318 2405.6084 - E 1 41
PSM QTQTFTTYSDNQPGVL 11 P63017 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 26 null ms_run[2]:scan=1530 1336.62 3 600.6265518 600.6197 K I 424 439
PSM ALLRLHQECEKLK 12 Q61699 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 36 9-UNIMOD:4 ms_run[2]:scan=1079 885.62 3 527.6362432 527.6362 R K 262 274
PSM DWYPAHSR 13 P14602 0 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 100 null ms_run[2]:scan=778 571.08 2 516.21 516.2383 R L 21 28
PSM DWYPAHSR 13 Q340U4 0 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 100 null ms_run[2]:scan=778 571.08 2 516.21 516.2383 K E 143 150
PSM DWYPAHSR 13 P16627 0 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 100 null ms_run[2]:scan=778 571.08 2 516.21 516.2383 R M 240 247
PSM MNQSNASPTLDGLFR 14 P14602 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 40 null ms_run[2]:scan=1389 1195.62 3 550.9468571 550.935 - R 1 15
PSM LWPFQVINEAGKPK 15 P14602 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 16 null ms_run[2]:scan=1298 1104.62 3 542.9666503 542.9716 K V 91 104
PSM MIKLGLGIDEDDPTVDDTSAAVTEEMPPLEGDDDTSR 16 P07901 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 6 null ms_run[2]:scan=3083 2876.08 2 1974.399035 1974.3984 R M 692 728
PSM TLTIVDTGIGMTK 17 P07901 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 21 null ms_run[2]:scan=1326 1132.62 3 450.5400013 450.583 R A 88 100
PSM MPEETQTQDQPMEEEEVETFAFQAEIAQLMSLIINTFYSNK 18 P07901 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] -5 null ms_run[2]:scan=3391 3184.08 2 2405.599817 2405.6084 - E 1 41
PSM QTQTFTTYSDNQPGVL 19 P63017 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 36 null ms_run[3]:scan=1062 1336.62 3 600.6484541 600.6197 K I 424 439
PSM AVVNGYSASDTVGAGFAQAK 20 Q8K0U4 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] -2 null ms_run[3]:scan=1066 1327.08 2 956.9766608 956.9736 K E 261 281
PSM ALLRLHQECEKLK 21 Q61699 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 36 9-UNIMOD:4 ms_run[3]:scan=611 885.62 3 527.6486368 527.6362 R K 262 274
PSM MNQSNASPTLDGLFR 22 P14602 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] -9 null ms_run[3]:scan=921 1195.62 3 550.9336303 550.935 - R 1 15
PSM MIKLGLGIDEDDPTVDDTSAAVTEEMPPLEGDDDTSR 23 P07901 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] -2 null ms_run[3]:scan=2615 2876.08 2 1974.392219 1974.3984 R M 692 728
PSM LGLGIDEDDPTVDDTSAAVTEEMPPLEGDDDTSR 24 P07901 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] -3 23-UNIMOD:35 ms_run[3]:scan=2350 2611.08 2 1788.28771 1788.2886 K M 695 728
PSM TLTIVDTGIGMTK 25 P07901 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 37 null ms_run[3]:scan=858 1132.62 3 450.5960917 450.583 R A 88 100
PSM MPEETQTQDQPMEEEEVETFAFQAEIAQLMSLIINTFYSNK 26 P07901 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 6 12-UNIMOD:35 ms_run[3]:scan=2923 3184.08 2 2405.604605 2405.6084 - E 1 41
PSM QTQTFTTYSDNQPGVL 27 P63017 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] -3 null ms_run[4]:scan=2731 1336.62 3 600.6123009 600.6197 K I 424 439
PSM AVVNGYSASDTVGAGFAQAK 28 Q8K0U4 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 39 null ms_run[4]:scan=2735 1327.08 2 956.9765302 956.9736 K E 261 281
PSM ALLRLHQECEKLK 29 Q61699 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] -2 9-UNIMOD:4 ms_run[4]:scan=2280 885.62 3 527.6343404 527.6362 R K 262 274
PSM MNQSNASPTLDGLFR 30 P14602 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 20 null ms_run[4]:scan=2590 1195.62 3 550.9284574 550.935 - R 1 15
PSM LWPFQVINEAGKPK 31 P14602 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] -3 null ms_run[4]:scan=2499 1104.62 3 542.9715699 542.9716 K V 91 104
PSM MIKLGLGIDEDDPTVDDTSAAVTEEMPPLEGDDDTSR 32 P07901 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 35 null ms_run[4]:scan=4284 2876.08 2 1974.40429 1974.3984 R M 692 728
PSM LGLGIDEDDPTVDDTSAAVTEEMPPLEGDDDTSR 33 P07901 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 0 23-UNIMOD:35 ms_run[4]:scan=4019 2611.08 2 1788.289062 1788.2886 K M 695 728
PSM MPEETQTQDQPMEEEEVETFAFQAEIAQLMSLIINTFYSNK 34 P07901 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 11 0-UNIMOD:35 ms_run[4]:scan=4592 3184.08 2 2405.57421 2405.6084 - E 1 41
PSM QTQTFTTYSDNQPGVL 35 P63017 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] -1 null ms_run[5]:scan=2031 1336.62 3 600.5900228 600.6197 K I 424 439
PSM AVVNGYSASDTVGAGFAQAK 36 Q8K0U4 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 36 null ms_run[5]:scan=2035 1327.08 2 956.9477197 956.9736 K E 261 281
PSM ALLRLHQECEKLK 37 Q61699 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 31 9-UNIMOD:4 ms_run[5]:scan=1580 885.62 3 527.6254449 527.6362 R K 262 274
PSM DWYPAHSR 38 P14602 0 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 100 null ms_run[5]:scan=1279 571.08 2 516.21 516.2383 R L 21 28
PSM DWYPAHSR 38 Q340U4 0 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 100 null ms_run[5]:scan=1279 571.08 2 516.21 516.2383 K E 143 150
PSM DWYPAHSR 38 P16627 0 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 100 null ms_run[5]:scan=1279 571.08 2 516.21 516.2383 R M 240 247
PSM MNQSNASPTLDGLFR 39 P14602 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 32 null ms_run[5]:scan=1890 1195.62 3 550.9120992 550.935 - R 1 15
PSM LWPFQVINEAGKPK 40 P14602 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 21 null ms_run[5]:scan=1799 1104.62 3 542.9599424 542.9716 K V 91 104
PSM TLTIVDTGIGMTK 41 P07901 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 8 11-UNIMOD:35 ms_run[5]:scan=1827 1132.62 3 450.5534561 450.583 R A 88 100
PSM MPEETQTQDQPMEEEEVETFAFQAEIAQLMSLIINTFYSNK 42 P07901 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] -5 0-UNIMOD:35 ms_run[5]:scan=3892 3184.08 2 2405.594573 2405.6084 - E 1 41
PSM AVVNGYSASDTVGAGFAQAK 43 Q8K0U4 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] -7 null ms_run[6]:scan=1331 1327.08 2 956.9880766 956.9736 K E 261 281
PSM ALLRLHQECEKLK 44 Q61699 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 24 9-UNIMOD:4 ms_run[6]:scan=876 885.62 3 527.64539 527.6362 R K 262 274
PSM DWYPAHSR 45 P14602 0 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 4 null ms_run[6]:scan=575 571.08 2 516.21 516.2383 R L 21 28
PSM DWYPAHSR 45 Q340U4 0 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 40 null ms_run[6]:scan=575 571.08 2 516.21 516.2383 K E 143 150
PSM DWYPAHSR 45 P16627 0 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 9 null ms_run[6]:scan=575 571.08 2 516.21 516.2383 R M 240 247
PSM MNQSNASPTLDGLFR 46 P14602 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 32 null ms_run[6]:scan=1186 1195.62 3 550.9319012 550.935 - R 1 15
PSM MIKLGLGIDEDDPTVDDTSAAVTEEMPPLEGDDDTSR 47 P07901 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 3 null ms_run[6]:scan=2880 2876.08 2 1974.377816 1974.3984 R M 692 728
PSM LGLGIDEDDPTVDDTSAAVTEEMPPLEGDDDTSR 48 P07901 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 29 23-UNIMOD:35 ms_run[6]:scan=2615 2611.08 2 1788.294771 1788.2886 K M 695 728
PSM TLTIVDTGIGMTK 49 P07901 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 39 11-UNIMOD:35 ms_run[6]:scan=1123 1132.62 3 450.6038036 450.583 R A 88 100
PSM MPEETQTQDQPMEEEEVETFAFQAEIAQLMSLIINTFYSNK 50 P07901 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 33 0-UNIMOD:35 ms_run[6]:scan=3188 3184.08 2 2405.605739 2405.6084 - E 1 41"#;
const LABELFREE_SQI: &str = r#"COM This line serves as a size and separator hint for spreadsheet applications. - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
COM Report of a minimal "Summary Quantification report" label free experiment, quantification on 2 study variables (control/treatment) reported,identifications reported.
MTD mzTab-version 1.0.0
MTD mzTab-mode Summary
MTD mzTab-type Quantification
MTD description mzTab example file for reporting a summary report of quantification data quantified on the protein level
MTD protein_search_engine_score[1] [MS,MS:1001171,Mascot:score,]
MTD psm_search_engine_score[1] [MS,MS:1001171,Mascot:score,]
MTD ms_run[1]-location file://C:/path/to/my/file1.mzML
MTD ms_run[2]-location file://C:/path/to/my/file2.mzML
MTD ms_run[3]-location file://C:/path/to/my/file3.mzML
MTD ms_run[4]-location file://C:/path/to/my/file4.mzML
MTD ms_run[5]-location file://C:/path/to/my/file5.mzML
MTD ms_run[6]-location file://C:/path/to/my/file6.mzML
MTD protein-quantification_unit [PRIDE, PRIDE:0000393, Relative quantification unit,]
MTD fixed_mod[1] [UNIMOD, UNIMOD:4, Carbamidomethyl, ]
MTD variable_mod[1] [UNIMOD, UNIMOD:35, Oxidation, ]
MTD study_variable[1]-description heat shock response of control
MTD study_variable[2]-description heat shock response of treatment
PRH accession description taxid species database database_version search_engine best_search_engine_score[1] ambiguity_members modifications protein_abundance_study_variable[1] protein_abundance_stdev_study_variable[1] protein_abundance_std_error_study_variable[1] protein_abundance_study_variable[2] protein_abundance_stdev_study_variable[2] protein_abundance_std_error_study_variable[2]
COM Accession Description Taxonomie ID Species Database Version Search Engine best Mascot score Ambiguity Members Modifications Abundance (HSPControl) Standard Deviation (HSPControl) Standard Error (HSPControl) Abundance (HSPTreatment) Standard Deviation (HSPTreatment) Standard Error (HSPTreatment)
PRT P63017 Heat shock cognate 71 kDa protein 10090 Mus musculus UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 46 null 0 40.63833264 5.655317647 3.265099166 274.6104756 35.15499814 20.29674764
PRT P14602 Heat shock protein beta-1 10090 Mus musculus UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 100 Q340U4,Q5K0U2,P8L901,P16627 0 117235.3899 17568.59128 10143.23091 5135.628975 1014.552511 585.7521654
PRT Q8K0U4 Heat shock 70 kDa protein 12A 10090 Mus musculus UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 120 null 0 48.30102441 5.476244671 3.161711335 470.9562475 85.04568626 49.10114986
PRT Q61699 Heat shock protein 105 kDa 10090 Mus musculus UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 37 null 0 4471.580171 1756.397919 1014.056812 9823.949819 267.8320859 154.6329269
PRT P07901 Heat shock protein HSP 90-alpha 10090 Mus musculus UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 45 null 12-UNIMOD:35, 98-UNIMOD:35,727-UNIMOD:35 3468571.127 332005.0444 191683.2018 734432.1524 246781.4666 142479.3462
PSH sequence PSM_ID accession unique database database_version search_engine search_engine_score[1] modifications spectra_ref retention_time charge exp_mass_to_charge calc_mass_to_charge pre post start end
COM Sequence PSM identifier accession Unqiue Database Database Version Search Engine Mascot score Modifications Spectra Reference Retention Time Charge Experimental m/z Calculated m/z Pre Post Start End
PSM QTQTFTTYSDNQPGVL 1 P63017 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 46 null ms_run[1]:scan=1296 1336.62 3 600.6569942 600.6197 K I 424 439
PSM AVVNGYSASDTVGAGFAQAK 2 Q8K0U4 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 120 null ms_run[1]:scan=1300 1327.08 2 956.9749847 956.9736 K E 261 281
PSM ALLRLHQECEKLK 3 Q61699 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 30 9-UNIMOD:4 ms_run[1]:scan=845 885.62 3 527.5989454 527.6362 R K 262 274
PSM DWYPAHSR 4 P14602 0 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 100 null ms_run[1]:scan=544 571.08 2 516.21 516.2383 R L 21 28
PSM DWYPAHSR 4 Q340U4 0 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 100 null ms_run[1]:scan=544 571.08 2 516.21 516.2383 K E 143 150
PSM DWYPAHSR 4 P16627 0 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 100 null ms_run[1]:scan=544 571.08 2 516.21 516.2383 R M 240 247
PSM MNQSNASPTLDGLFR 5 P14602 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 14 null ms_run[1]:scan=1155 1195.62 3 550.9282581 550.935 - R 1 15
PSM LWPFQVINEAGKPK 6 P14602 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 45 null ms_run[1]:scan=1064 1104.62 3 542.9814129 542.9716 K V 91 104
PSM MIKLGLGIDEDDPTVDDTSAAVTEEMPPLEGDDDTSR 7 P07901 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 45 null ms_run[1]:scan=2849 2876.08 2 1974.419097 1974.3984 R M 692 728
PSM LGLGIDEDDPTVDDTSAAVTEEMPPLEGDDDTSR 8 P07901 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 120 23-UNIMOD:35 ms_run[1]:scan=2584 2611.08 2 1788.273327 1788.2886 K M 695 728
PSM TLTIVDTGIGMTK 9 P07901 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 76 11-UNIMOD:35 ms_run[1]:scan=1092 1132.62 3 450.5972474 450.583 R A 88 100
PSM MPEETQTQDQPMEEEEVETFAFQAEIAQLMSLIINTFYSNK 10 P07901 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 87 0-UNIMOD:35 ms_run[1]:scan=3157 3184.08 2 2405.590711 2405.6084 - E 1 41
PSM QTQTFTTYSDNQPGVL 11 P63017 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 26 null ms_run[2]:scan=1530 1336.62 3 600.6369267 600.6197 K I 424 439
PSM ALLRLHQECEKLK 12 Q61699 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] -8 9-UNIMOD:4 ms_run[2]:scan=1079 885.62 3 527.6681284 527.6362 R K 262 274
PSM DWYPAHSR 13 P14602 0 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 100 null ms_run[2]:scan=778 571.08 2 516.21 516.2383 R L 21 28
PSM DWYPAHSR 13 Q340U4 0 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 100 null ms_run[2]:scan=778 571.08 2 516.21 516.2383 K E 143 150
PSM DWYPAHSR 13 P16627 0 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 100 null ms_run[2]:scan=778 571.08 2 516.21 516.2383 R M 240 247
PSM MNQSNASPTLDGLFR 14 P14602 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 31 null ms_run[2]:scan=1389 1195.62 3 550.9319625 550.935 - R 1 15
PSM LWPFQVINEAGKPK 15 P14602 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 20 null ms_run[2]:scan=1298 1104.62 3 542.970027 542.9716 K V 91 104
PSM MIKLGLGIDEDDPTVDDTSAAVTEEMPPLEGDDDTSR 16 P07901 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 2 null ms_run[2]:scan=3083 2876.08 2 1974.385729 1974.3984 R M 692 728
PSM TLTIVDTGIGMTK 17 P07901 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 23 null ms_run[2]:scan=1326 1132.62 3 450.5760358 450.583 R A 88 100
PSM MPEETQTQDQPMEEEEVETFAFQAEIAQLMSLIINTFYSNK 18 P07901 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 18 null ms_run[2]:scan=3391 3184.08 2 2405.607754 2405.6084 - E 1 41
PSM QTQTFTTYSDNQPGVL 19 P63017 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 26 null ms_run[3]:scan=1062 1336.62 3 600.6002396 600.6197 K I 424 439
PSM AVVNGYSASDTVGAGFAQAK 20 Q8K0U4 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] -2 null ms_run[3]:scan=1066 1327.08 2 956.9780096 956.9736 K E 261 281
PSM ALLRLHQECEKLK 21 Q61699 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] -3 9-UNIMOD:4 ms_run[3]:scan=611 885.62 3 527.6504265 527.6362 R K 262 274
PSM MNQSNASPTLDGLFR 22 P14602 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 38 null ms_run[3]:scan=921 1195.62 3 550.9318951 550.935 - R 1 15
PSM MIKLGLGIDEDDPTVDDTSAAVTEEMPPLEGDDDTSR 23 P07901 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] -2 null ms_run[3]:scan=2615 2876.08 2 1974.385759 1974.3984 R M 692 728
PSM LGLGIDEDDPTVDDTSAAVTEEMPPLEGDDDTSR 24 P07901 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 34 23-UNIMOD:35 ms_run[3]:scan=2350 2611.08 2 1788.29715 1788.2886 K M 695 728
PSM TLTIVDTGIGMTK 25 P07901 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] -8 null ms_run[3]:scan=858 1132.62 3 450.5828076 450.583 R A 88 100
PSM MPEETQTQDQPMEEEEVETFAFQAEIAQLMSLIINTFYSNK 26 P07901 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] -2 12-UNIMOD:35 ms_run[3]:scan=2923 3184.08 2 2405.609401 2405.6084 - E 1 41
PSM QTQTFTTYSDNQPGVL 27 P63017 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 22 null ms_run[4]:scan=2731 1336.62 3 600.6215365 600.6197 K I 424 439
PSM AVVNGYSASDTVGAGFAQAK 28 Q8K0U4 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 24 null ms_run[4]:scan=2735 1327.08 2 956.9769799 956.9736 K E 261 281
PSM ALLRLHQECEKLK 29 Q61699 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 19 9-UNIMOD:4 ms_run[4]:scan=2280 885.62 3 527.6318602 527.6362 R K 262 274
PSM MNQSNASPTLDGLFR 30 P14602 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 40 null ms_run[4]:scan=2590 1195.62 3 550.9331388 550.935 - R 1 15
PSM LWPFQVINEAGKPK 31 P14602 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] -3 null ms_run[4]:scan=2499 1104.62 3 542.9431778 542.9716 K V 91 104
PSM MIKLGLGIDEDDPTVDDTSAAVTEEMPPLEGDDDTSR 32 P07901 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 38 null ms_run[4]:scan=4284 2876.08 2 1974.432596 1974.3984 R M 692 728
PSM LGLGIDEDDPTVDDTSAAVTEEMPPLEGDDDTSR 33 P07901 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 10 23-UNIMOD:35 ms_run[4]:scan=4019 2611.08 2 1788.308805 1788.2886 K M 695 728
PSM MPEETQTQDQPMEEEEVETFAFQAEIAQLMSLIINTFYSNK 34 P07901 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 11 0-UNIMOD:35 ms_run[4]:scan=4592 3184.08 2 2405.604604 2405.6084 - E 1 41
PSM QTQTFTTYSDNQPGVL 35 P63017 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 26 null ms_run[5]:scan=2031 1336.62 3 600.631332 600.6197 K I 424 439
PSM AVVNGYSASDTVGAGFAQAK 36 Q8K0U4 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 32 null ms_run[5]:scan=2035 1327.08 2 956.9393913 956.9736 K E 261 281
PSM ALLRLHQECEKLK 37 Q61699 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 37 9-UNIMOD:4 ms_run[5]:scan=1580 885.62 3 527.6306181 527.6362 R K 262 274
PSM DWYPAHSR 38 P14602 0 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 100 null ms_run[5]:scan=1279 571.08 2 516.21 516.2383 R L 21 28
PSM DWYPAHSR 38 Q340U4 0 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 100 null ms_run[5]:scan=1279 571.08 2 516.21 516.2383 K E 143 150
PSM DWYPAHSR 38 P16627 0 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 100 null ms_run[5]:scan=1279 571.08 2 516.21 516.2383 R M 240 247
PSM MNQSNASPTLDGLFR 39 P14602 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] -3 null ms_run[5]:scan=1890 1195.62 3 550.9468041 550.935 - R 1 15
PSM LWPFQVINEAGKPK 40 P14602 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] -2 null ms_run[5]:scan=1799 1104.62 3 542.9779284 542.9716 K V 91 104
PSM TLTIVDTGIGMTK 41 P07901 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 2 11-UNIMOD:35 ms_run[5]:scan=1827 1132.62 3 450.5803135 450.583 R A 88 100
PSM MPEETQTQDQPMEEEEVETFAFQAEIAQLMSLIINTFYSNK 42 P07901 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 6 0-UNIMOD:35 ms_run[5]:scan=3892 3184.08 2 2405.625379 2405.6084 - E 1 41
PSM AVVNGYSASDTVGAGFAQAK 43 Q8K0U4 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 25 null ms_run[6]:scan=1331 1327.08 2 956.9900237 956.9736 K E 261 281
PSM ALLRLHQECEKLK 44 Q61699 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 6 9-UNIMOD:4 ms_run[6]:scan=876 885.62 3 527.6434782 527.6362 R K 262 274
PSM DWYPAHSR 45 P14602 0 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 17 null ms_run[6]:scan=575 571.08 2 516.21 516.2383 R L 21 28
PSM DWYPAHSR 45 Q340U4 0 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 2 null ms_run[6]:scan=575 571.08 2 516.21 516.2383 K E 143 150
PSM DWYPAHSR 45 P16627 0 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 8 null ms_run[6]:scan=575 571.08 2 516.21 516.2383 R M 240 247
PSM MNQSNASPTLDGLFR 46 P14602 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 12 null ms_run[6]:scan=1186 1195.62 3 550.9368104 550.935 - R 1 15
PSM MIKLGLGIDEDDPTVDDTSAAVTEEMPPLEGDDDTSR 47 P07901 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 29 null ms_run[6]:scan=2880 2876.08 2 1974.40836 1974.3984 R M 692 728
PSM LGLGIDEDDPTVDDTSAAVTEEMPPLEGDDDTSR 48 P07901 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 3 23-UNIMOD:35 ms_run[6]:scan=2615 2611.08 2 1788.288824 1788.2886 K M 695 728
PSM TLTIVDTGIGMTK 49 P07901 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 36 11-UNIMOD:35 ms_run[6]:scan=1123 1132.62 3 450.5838508 450.583 R A 88 100
PSM MPEETQTQDQPMEEEEVETFAFQAEIAQLMSLIINTFYSNK 50 P07901 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 11 0-UNIMOD:35 ms_run[6]:scan=3188 3184.08 2 2405.619464 2405.6084 - E 1 41"#;
const COMPLEX_MODS: &str = r"
MTD mzTab-version 1.0.0
MTD mzTab-mode Summary
MTD mzTab-type Quantification
MTD description mzTab example file for reporting a summary report of quantification data quantified on the protein level
MTD protein_search_engine_score[1] [MS,MS:1001171,Mascot:score,]
MTD psm_search_engine_score[1] [MS,MS:1001171,Mascot:score,]
MTD ms_run[1]-location file://C:/path/to/my/file1.mzML
MTD ms_run[2]-location file://C:/path/to/my/file2.mzML
MTD ms_run[3]-location file://C:/path/to/my/file3.mzML
MTD ms_run[4]-location file://C:/path/to/my/file4.mzML
MTD ms_run[5]-location file://C:/path/to/my/file5.mzML
MTD ms_run[6]-location file://C:/path/to/my/file6.mzML
MTD protein-quantification_unit [PRIDE, PRIDE:0000393, Relative quantification unit,]
MTD fixed_mod[1] [UNIMOD, UNIMOD:4, Carbamidomethyl, ]
MTD variable_mod[1] [UNIMOD, UNIMOD:35, Oxidation, ]
MTD study_variable[1]-description heat shock response of control
MTD study_variable[2]-description heat shock response of treatment
PRH accession description taxid species database database_version search_engine best_search_engine_score[1] ambiguity_members modifications protein_abundance_study_variable[1] protein_abundance_stdev_study_variable[1] protein_abundance_std_error_study_variable[1] protein_abundance_study_variable[2] protein_abundance_stdev_study_variable[2] protein_abundance_std_error_study_variable[2]
PRT P63017 Heat shock cognate 71 kDa protein 10090 Mus musculus UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 46 null 0 40.63833264 5.655317647 3.265099166 274.6104756 35.15499814 20.29674764
PRT P14602 Heat shock protein beta-1 10090 Mus musculus UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 100 Q340U4,Q5K0U2,P8L901 0 117235.3899 17568.59128 10143.23091 5135.628975 1014.552511 585.7521654
PRT Q8K0U4 Heat shock 70 kDa protein 12A 10090 Mus musculus UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 120 null 0 48.30102441 5.476244671 3.161711335 470.9562475 85.04568626 49.10114986
PRT Q61699 Heat shock protein 105 kDa 10090 Mus musculus UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 37 null 0 4471.580171 1756.397919 1014.056812 9823.949819 267.8320859 154.6329269
PRT P07901 Heat shock protein HSP 90-alpha 10090 Mus musculus UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 45 null 12-UNIMOD:35, 98-UNIMOD:35,727-UNIMOD:35 3468571.127 332005.0444 191683.2018 734432.1524 246781.4666 142479.3462
PSH sequence PSM_ID accession unique database database_version search_engine search_engine_score[1] modifications spectra_ref retention_time charge exp_mass_to_charge calc_mass_to_charge pre post start end
COM No mods so 'null' (technically incorrect if other lines have defined mods but common so should accept)
PSM MIKLGLGIDEDDPTVDDTSAAVTEEMPPLEGDDDTSR 47 P07901 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 29 null ms_run[6]:scan=2880 2876.08 2 1974.40836 1974.3984 R M 692 728
COM No mods so '0'
PSM MIKLGLGIDEDDPTVDDTSAAVTEEMPPLEGDDDTSR 47 P07901 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 29 0 ms_run[6]:scan=2880 2876.08 2 1974.40836 1974.3984 R M 692 728
COM Standard mod using unimod
PSM LGLGIDEDDPTVDDTSAAVTEEMPPLEGDDDTSR 48 P07901 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 3 23-UNIMOD:35 ms_run[6]:scan=2615 2611.08 2 1788.288824 1788.2886 K M 695 728
COM Standard mod using psimod
PSM LGLGIDEDDPTVDDTSAAVTEEMPPLEGDDDTSR 48 P07901 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 3 23-MOD:00425 ms_run[6]:scan=2615 2611.08 2 1788.288824 1788.2886 K M 695 728
COM Standard mod using chemmod (formula)
PSM LGLGIDEDDPTVDDTSAAVTEEMPPLEGDDDTSR 48 P07901 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 3 23-CHEMMOD:+O ms_run[6]:scan=2615 2611.08 2 1788.288824 1788.2886 K M 695 728
COM Standard mod using chemmod (mass)
PSM LGLGIDEDDPTVDDTSAAVTEEMPPLEGDDDTSR 48 P07901 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 3 23-CHEMMOD:+15.995 ms_run[6]:scan=2615 2611.08 2 1788.288824 1788.2886 K M 695 728
COM Ambiguous mod using unimod
PSM LGLGIDEDDPTVDDTSAAVTEEMPPLEGDDDTSR 48 P07901 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 3 null-UNIMOD:35 ms_run[6]:scan=2615 2611.08 2 1788.288824 1788.2886 K M 695 728
COM Ambiguous placed mod using unimod
PSM LGLGIDEDDPTVDDTSAAVTEEMPPLEGDDDTSR 48 P07901 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 3 0|23-UNIMOD:35 ms_run[6]:scan=2615 2611.08 2 1788.288824 1788.2886 K M 695 728
COM Ambiguous placed mod with probability using unimod
PSM LGLGIDEDDPTVDDTSAAVTEEMPPLEGDDDTSR 48 P07901 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 3 0[MS,MS:1001876, modification probability, 0.1]|23[MS,MS:1001876, modification probability, 0.9]-UNIMOD:35 ms_run[6]:scan=2615 2611.08 2 1788.288824 1788.2886 K M 695 728
COM Even more placed ambiguous mod using unimod
PSM LGLGIDEDDPTVDDTSAAVTEEMPPLEGDDDTSR 48 P07901 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 3 0|20|23|32-UNIMOD:35 ms_run[6]:scan=2615 2611.08 2 1788.288824 1788.2886 K M 695 728
COM Neutral loss (with position)
PSM LGLGIDEDDPTVDDTSAAVTEEMPPLEGDDDTSR 48 P07901 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 3 23-CHEMMOD:+15.995,23-[MS, MS:1001524, fragment neutral loss, 63.998285] ms_run[6]:scan=2615 2611.08 2 1788.288824 1788.2886 K M 695 728
COM Neutral loss (without position)
PSM LGLGIDEDDPTVDDTSAAVTEEMPPLEGDDDTSR 48 P07901 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 3 23-CHEMMOD:+15.995,[MS, MS:1001524, fragment neutral loss, 63.998285] ms_run[6]:scan=2615 2611.08 2 1788.288824 1788.2886 K M 695 728
COM Standard mod using unimod
PSM MPEETQTQDQPMEEEEVETFAFQAEIAQLMSLIINTFYSNK 50 P07901 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 11 0-UNIMOD:35 ms_run[6]:scan=3188 3184.08 2 2405.619464 2405.6084 - E 1 41
COM Standard mod using psimod
PSM MPEETQTQDQPMEEEEVETFAFQAEIAQLMSLIINTFYSNK 50 P07901 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 11 0-MOD:00425 ms_run[6]:scan=3188 3184.08 2 2405.619464 2405.6084 - E 1 41
COM Standard mod using chemmod (formula)
PSM MPEETQTQDQPMEEEEVETFAFQAEIAQLMSLIINTFYSNK 50 P07901 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 11 0-CHEMMOD:+O ms_run[6]:scan=3188 3184.08 2 2405.619464 2405.6084 - E 1 41
COM Standard mod using chemmod (mass)
PSM MPEETQTQDQPMEEEEVETFAFQAEIAQLMSLIINTFYSNK 50 P07901 1 UniProtKB 2013_08 [MS,MS:1001207,Mascot,] 11 0-CHEMMOD:+15.995 ms_run[6]:scan=3188 3184.08 2 2405.619464 2405.6084 - E 1 41";
const CASANOVO_V3_2_0_A: &str = r"MTD mzTab-version 1.0.0
MTD mzTab-mode Summary
MTD mzTab-type Identification
MTD description Casanovo identification file MM_peptides_casanovo_AspN
MTD software[1] [MS, MS:1003281, Casanovo, 3.2.0]
MTD psm_search_engine_score[1] [MS, MS:1001143, search engine specific score for PSMs, ]
MTD ms_run[1]-location file:///storage-hdd/douwe/casanovo/MM_Peng0013/2232_23614_AspN.mgf
MTD fixed_mod[1] [UNIMOD, UNIMOD:4, Carbamidomethyl, ]
MTD fixed_mod[1]-site C
MTD variable_mod[1] [UNIMOD, UNIMOD:7, Deamidated, ]
MTD variable_mod[1]-site N
MTD variable_mod[2] [UNIMOD, UNIMOD:7, Deamidated, ]
MTD variable_mod[2]-site Q
MTD variable_mod[3] [UNIMOD, UNIMOD:35, Oxidation, ]
MTD variable_mod[3]-site M
MTD variable_mod[4] [UNIMOD, UNIMOD:385, Ammonia-loss, ]
MTD variable_mod[4]-site N-term
MTD variable_mod[5] [UNIMOD, UNIMOD:5, Carbamyl, ]
MTD variable_mod[5]-site N-term
MTD variable_mod[6] [UNIMOD, UNIMOD:1, Acetyl, ]
MTD variable_mod[6]-site N-term
MTD software[1]-setting[1] model = /storage-hdd/douwe/.cache/casanovo/casanovo_massivekb_v3_0_0.ckpt
MTD software[1]-setting[2] config_filename = /storage-hdd/douwe/miniconda3/envs/casanovo_env/lib/python3.10/site-packages/casanovo/config.yaml
MTD software[1]-setting[3] random_seed = 454
MTD software[1]-setting[4] n_peaks = 150
MTD software[1]-setting[5] min_mz = 50.0
MTD software[1]-setting[6] max_mz = 2500.0
MTD software[1]-setting[7] min_intensity = 0.01
MTD software[1]-setting[8] remove_precursor_tol = 2.0
MTD software[1]-setting[9] max_charge = 10
MTD software[1]-setting[10] precursor_mass_tol = 50.0
MTD software[1]-setting[11] isotope_error_range = (0, 1)
MTD software[1]-setting[12] dim_model = 512
MTD software[1]-setting[13] n_head = 8
MTD software[1]-setting[14] dim_feedforward = 1024
MTD software[1]-setting[15] n_layers = 9
MTD software[1]-setting[16] dropout = 0.0
MTD software[1]-setting[17] dim_intensity = None
MTD software[1]-setting[18] custom_encoder = None
MTD software[1]-setting[19] max_length = 100
MTD software[1]-setting[21] n_log = 1
MTD software[1]-setting[22] tb_summarywriter = None
MTD software[1]-setting[23] warmup_iters = 100000
MTD software[1]-setting[24] max_iters = 600000
MTD software[1]-setting[25] learning_rate = 0.0005
MTD software[1]-setting[26] weight_decay = 1e-05
MTD software[1]-setting[27] train_batch_size = 32
MTD software[1]-setting[28] predict_batch_size = 1024
MTD software[1]-setting[29] n_beams = 5
MTD software[1]-setting[30] logger = None
MTD software[1]-setting[31] max_epochs = 30
MTD software[1]-setting[32] num_sanity_val_steps = 0
MTD software[1]-setting[33] train_from_scratch = True
MTD software[1]-setting[34] save_model = True
MTD software[1]-setting[35] model_save_folder_path =
MTD software[1]-setting[36] save_weights_only = True
MTD software[1]-setting[37] every_n_train_steps = 50000
MTD software[1]-setting[38] n_workers = 32
PSH sequence PSM_ID accession unique database database_version search_engine search_engine_score[1] modifications retention_time charge exp_mass_to_charge calc_mass_to_charge spectra_ref pre post start end opt_ms_run[1]_aa_scores
PSM GSGGR 0 null null null null [MS, MS:1003281, Casanovo, 3.2.0] -0.735283625125885 null null 1 413.26611328125 433.21537216688 ms_run[1]:index=0 null null null null 0.25406,0.17583,0.22368,0.18075,0.48925
PSM SSSSSR 1 null null null null [MS, MS:1003281, Casanovo, 3.2.0] -0.7253233976662159 null null 1 511.4718017578125 610.2790921668799 ms_run[1]:index=1 null null null null 0.35708,0.27899,0.19515,0.17837,0.12239,0.51608
PSM -17.027QVAPETPEPTKEELLEDVK 2 null null null null [MS, MS:1003281, Casanovo, 3.2.0] -0.3708054140210152 null null 3 714.0145874023438 712.3633197002134 ms_run[1]:index=2 null null null null 0.99922,0.93201,0.96866,0.04530,0.99950,0.96677,0.99117,0.40099,0.13996,0.99918,0.85622,0.40775,0.11147,0.18180,0.36664,0.41324,0.12600,0.68006,0.99869,0.99927
PSM LAALLL 3 null null null null [MS, MS:1003281, Casanovo, 3.2.0] -0.6445258930325508 null null 1 497.4560852050781 613.42832516688 ms_run[1]:index=3 null null null null 0.34676,0.41201,0.23252,0.58530,0.31114,0.24512
PSM DLLD 4 null null null null [MS, MS:1003281, Casanovo, 3.2.0] -0.8191229030489922 null null 1 405.2995910644531 475.23985516688 ms_run[1]:index=4 null null null null 0.11139,0.15085,0.38070,0.08057
PSM VVPELLHLAEEFLGGGK 5 null null null null [MS, MS:1003281, Casanovo, 3.2.0] 0.47498726253123846 null null 3 603.673828125 603.3366053668799 ms_run[1]:index=5 null null null null 0.93643,0.04722,0.89374,0.57967,0.26205,0.18705,0.42346,0.28914,0.97375,0.51307,0.16243,0.08823,0.36511,0.98292,0.22967,0.27461,0.86622
PSM FSSFKPEEEEFFR 6 null null null null [MS, MS:1003281, Casanovo, 3.2.0] -0.592856129201559 null null 3 559.9384155273438 560.2631053668799 ms_run[1]:index=6 null null null null 0.99435,0.60932,0.26332,0.20480,0.11726,0.98989,0.52577,0.23362,0.25185,0.25347,0.16739,0.11135,0.57049
PSM SPEELER 7 null null null null [MS, MS:1003281, Casanovo, 3.2.0] -0.643719999917916 null null 1 815.2142944335938 859.4155871668801 ms_run[1]:index=7 null null null null 0.93320,0.11841,0.21546,0.18948,0.28040,0.12495,0.63206
PSM KEELER 8 null null null null [MS, MS:1003281, Casanovo, 3.2.0] -0.7448172097404797 null null 1 741.1951293945312 803.42575816688 ms_run[1]:index=8 null null null null 0.24676,0.13971,0.14702,0.23043,0.13259,0.63459
PSM AAGAGYK 9 null null null null [MS, MS:1003281, Casanovo, 3.2.0] -0.7750454034124101 null null 1 577.1265258789062 637.33040316688 ms_run[1]:index=9 null null null null 0.16576,0.32812,0.14013,0.23805,0.35547,0.18960,0.15755
PSM ELEKL 10 null null null null [MS, MS:1003281, Casanovo, 3.2.0] -0.8146590083837509 null null 1 607.2094116210938 631.36611816688 ms_run[1]:index=10 null null null null 0.11403,0.25258,0.14389,0.30997,0.10624
PSM SLRELER 11 null null null null [MS, MS:1003281, Casanovo, 3.2.0] -0.6358094683715275 null null 1 889.2332763671875 902.50540516688 ms_run[1]:index=11 null null null null 0.94682,0.16216,0.34944,0.21870,0.16618,0.20836,0.49767
PSM EEEER 12 null null null null [MS, MS:1003281, Casanovo, 3.2.0] -0.7128205999732018 null null 1 667.17578125 691.28932416688 ms_run[1]:index=12 null null null null 0.23836,0.23336,0.10908,0.15487,0.70023
PSM TLVLRP 13 null null null null [MS, MS:1003281, Casanovo, 3.2.0] -0.558969931056102 null null 1 610.184326171875 698.45592816688 ms_run[1]:index=13 null null null null 0.14757,0.15985,0.46905,0.86864,0.96035,0.04072
PSM ALLLER 14 null null null null [MS, MS:1003281, Casanovo, 3.2.0] -0.6632984789709251 null null 1 681.2283935546875 714.4508511668799 ms_run[1]:index=14 null null null null 0.48801,0.20084,0.25201,0.36695,0.08368,0.62872
PSM SLSSLTVTLKPQQEAVGGK 15 null null null null [MS, MS:1003281, Casanovo, 3.2.0] -0.5129245866678263 null null 3 649.6820068359375 648.36510636688 ms_run[1]:index=15 null null null null 0.99338,0.59771,0.22010,0.44879,0.18548,0.22883,0.48091,0.95719,0.32937,0.38608,0.99748,0.56994,0.20906,0.26193,0.15275,0.23017,0.98838,0.02397,0.99291
PSM ELLR 16 null null null null [MS, MS:1003281, Casanovo, 3.2.0] -0.6342670135200024 null null 1 413.26611328125 530.32967316688 ms_run[1]:index=16 null null null null 0.17438,0.53024,0.10526,0.65305
PSM ELLR 17 null null null null [MS, MS:1003281, Casanovo, 3.2.0] -0.7994027156382799 null null 1 511.47210693359375 530.32967316688 ms_run[1]:index=17 null null null null 0.19489,0.14747,0.09985,0.36018
PSM PETPTELQGPDDEEEPEVK 18 null null null null [MS, MS:1003281, Casanovo, 3.2.0] 0.5162208829271165 null null 3 714.0145263671875 713.6585723668801 ms_run[1]:index=18 null null null null 0.39791,0.27597,0.52044,0.97308,0.38256,0.21317,0.13434,0.22852,0.97315,0.50977,0.54235,0.27661,0.42599,0.50252,0.34173,0.99481,0.99594,0.12229,0.99706
PSM LLLLT 19 null null null null [MS, MS:1003281, Casanovo, 3.2.0] -0.7800469532608986 null null 1 497.4565124511719 572.40176716688 ms_run[1]:index=19 null null null null 0.16727,0.21436,0.29215,0.35245,0.07354
PSM YHLD 20 null null null null [MS, MS:1003281, Casanovo, 3.2.0] -0.7207246962934732 null null 1 405.2998962402344 547.25108916688 ms_run[1]:index=20 null null null null 0.33060,0.19889,0.51925,0.06835
PSM -17.027QYLLLGEDEDDDEDR 21 null null null null [MS, MS:1003281, Casanovo, 3.2.0] -0.6228780914098024 null null 3 603.3400268554688 603.25500436688 ms_run[1]:index=21 null null null null 0.99333,0.33241,0.39100,0.14232,0.17767,0.14522,0.97413,0.38020,0.43828,0.28830,0.41420,0.23734,0.25463,0.12410,0.17882,0.56202
PSM +42.011REELER 22 null null null null [MS, MS:1003281, Casanovo, 3.2.0] -0.6575511566230229 null null 1 815.2136840820312 873.44247116688 ms_run[1]:index=22 null null null null 0.59242,0.23652,0.21066,0.18524,0.26954,0.12411,0.77867
PSM C+57.021LLLLR 23 null null null null [MS, MS:1003281, Casanovo, 3.2.0] -0.6975801015893619 null null 1 741.1948852539062 787.48585716688 ms_run[1]:index=23 null null null null 0.34809,0.14675,0.12477,0.22432,0.20907,0.76152
PSM GSGGGYK 24 null null null null [MS, MS:1003281, Casanovo, 3.2.0] -0.720152270581041 null null 1 577.126220703125 625.29401716688 ms_run[1]:index=24 null null null null 0.44734,0.09965,0.18184,0.40142,0.18695,0.14544,0.49630
PSM GHNPEKPK 25 null null null null [MS, MS:1003281, Casanovo, 3.2.0] -0.593485345132649 null null 1 889.2333984375 906.47919116688 ms_run[1]:index=25 null null null null 0.99997,0.59514,0.24540,0.38361,0.27849,0.22307,0.11219,0.41425
PSM LGLLLK 26 null null null null [MS, MS:1003281, Casanovo, 3.2.0] -0.6089287549257278 null null 1 607.20947265625 656.47052416688 ms_run[1]:index=26 null null null null 0.17084,0.95180,0.45231,0.27613,0.16371,0.33165
PSM LEDLAK 27 null null null null [MS, MS:1003281, Casanovo, 3.2.0] -0.7859395916263262 null null 1 667.176513671875 688.3875821668801 ms_run[1]:index=27 null null null null 0.15912,0.12875,0.13305,0.20670,0.09751,0.55924
PSM EELEK 28 null null null null [MS, MS:1003281, Casanovo, 3.2.0] -0.7058303788304329 null null 1 610.1837768554688 647.32464716688 ms_run[1]:index=28 null null null null 0.20940,0.16574,0.44619,0.12282,0.52669
PSM FPELREELEELLR 29 null null null null [MS, MS:1003281, Casanovo, 3.2.0] -0.6951866172827207 null null 3 560.2728881835938 558.3016717002133 ms_run[1]:index=29 null null null null 0.72327,0.14837,0.17906,0.23369,0.14013,0.20696,0.18871,0.14257,0.18361,0.15823,0.39111,0.49464,0.77224
PSM GSGGR 30 null null null null [MS, MS:1003281, Casanovo, 3.2.0] -0.7082008183002472 null null 1 413.26611328125 433.21537216688 ms_run[1]:index=30 null null null null 0.26761,0.20572,0.26775,0.12307,0.59484
PSM ELLR 31 null null null null [MS, MS:1003281, Casanovo, 3.2.0] -0.7764322571456432 null null 1 511.47210693359375 530.32967316688 ms_run[1]:index=31 null null null null 0.16861,0.17017,0.14896,0.40652
PSM HYYY 32 null null null null [MS, MS:1003281, Casanovo, 3.2.0] -0.7147024851292372 null null 1 497.45660400390625 645.26674016688 ms_run[1]:index=32 null null null null 0.29846,0.42501,0.31307,0.10465
PSM RPLPLPSSSSSSSSSLLPLDK 33 null null null null [MS, MS:1003281, Casanovo, 3.2.0] -0.630400477420716 null null 3 714.0147705078125 719.05834636688 ms_run[1]:index=33 null null null null 0.94600,0.80461,0.39638,0.46708,0.21855,0.21456,0.20268,0.17582,0.20519,0.16950,0.19152,0.17588,0.17793,0.13533,0.12823,0.17359,0.29554,0.99159,0.91215,0.44311,0.33636
PSM AAAAK 34 null null null null [MS, MS:1003281, Casanovo, 3.2.0] -0.8378844454884529 null null 1 405.2995910644531 431.26126016688 ms_run[1]:index=34 null null null null 0.20668,0.17113,0.15158,0.10015,0.18104
PSM FLSATLK 35 null null null null [MS, MS:1003281, Casanovo, 3.2.0] -0.6625255367585591 null null 1 741.1953125 779.46615816688 ms_run[1]:index=35 null null null null 0.21596,0.22240,0.70341,0.23933,0.15220,0.09006,0.73896
PSM SPEVVYR 36 null null null null [MS, MS:1003281, Casanovo, 3.2.0] -0.4961845608694213 null null 1 815.2138061523438 849.4464941668799 ms_run[1]:index=36 null null null null 0.50407,0.23244,0.13364,0.96076,0.82636,0.08735,0.78208
PSM C+57.021LGSNK 37 null null null null [MS, MS:1003281, Casanovo, 3.2.0] -0.4578092197577158 null null 1 577.1262817382812 678.3239361668799 ms_run[1]:index=37 null null null null 0.16027,0.46032,0.98156,0.62097,0.17419,0.85582
PSM VKDDDYR 38 null null null null [MS, MS:1003281, Casanovo, 3.2.0] -0.603866423879351 null null 1 889.2324829101562 910.4264871668801 ms_run[1]:index=38 null null null null 0.64687,0.54058,0.22728,0.43317,0.29016,0.11410,0.52077
PSM GLSSHGR 39 null null null null [MS, MS:1003281, Casanovo, 3.2.0] -0.5621655200208937 null null 1 667.176513671875 713.36891216688 ms_run[1]:index=39 null null null null 0.49872,0.23509,0.96360,0.66934,0.21727,0.12017,0.36065
PSM LYRPK 40 null null null null [MS, MS:1003281, Casanovo, 3.2.0] -0.7804442211985588 null null 1 607.20947265625 676.41407216688 ms_run[1]:index=40 null null null null 0.18311,0.12588,0.11594,0.19753,0.47532";
const CASANOVO_V3_2_0_B: &str = r"MTD mzTab-version 1.0.0
MTD mzTab-mode Summary
MTD mzTab-type Identification
MTD description Casanovo identification file EH3420
MTD software[1] [MS, MS:1003281, Casanovo, 3.2.0]
MTD psm_search_engine_score[1] [MS, MS:1001143, search engine specific score for PSMs, ]
MTD ms_run[1]-location file:///net/noble/vol1/home/rowanon/proj/2022_rowanon_casanovo-ne/results/rowanon/2023-01-04_greiff-predictions/run1_tryp/EH3420.mzML
MTD fixed_mod[1] [UNIMOD, UNIMOD:4, Carbamidomethyl, ]
MTD fixed_mod[1]-site C
MTD variable_mod[1] [UNIMOD, UNIMOD:7, Deamidated, ]
MTD variable_mod[1]-site N
MTD variable_mod[2] [UNIMOD, UNIMOD:7, Deamidated, ]
MTD variable_mod[2]-site Q
MTD variable_mod[3] [UNIMOD, UNIMOD:35, Oxidation, ]
MTD variable_mod[3]-site M
MTD variable_mod[4] [UNIMOD, UNIMOD:5, Carbamyl, ]
MTD variable_mod[4]-site N-term
MTD variable_mod[5] [UNIMOD, UNIMOD:385, Ammonia-loss, ]
MTD variable_mod[5]-site N-term
MTD variable_mod[6] [UNIMOD, UNIMOD:1, Acetyl, ]
MTD variable_mod[6]-site N-term
MTD software[1]-setting[1] model = /net/noble/vol1/home/rowanon/proj/casanovo-tensorboard/casanovo_massivekb.ckpt
MTD software[1]-setting[2] config_filename = ../config.yaml
MTD software[1]-setting[3] random_seed = 454
MTD software[1]-setting[4] n_peaks = 150
MTD software[1]-setting[5] min_mz = 50.0
MTD software[1]-setting[6] max_mz = 2500.0
MTD software[1]-setting[7] min_intensity = 0.01
MTD software[1]-setting[8] remove_precursor_tol = 2.0
MTD software[1]-setting[9] max_charge = 10
MTD software[1]-setting[10] precursor_mass_tol = 50.0
MTD software[1]-setting[11] isotope_error_range = (0, 1)
MTD software[1]-setting[12] dim_model = 512
MTD software[1]-setting[13] n_head = 8
MTD software[1]-setting[14] dim_feedforward = 1024
MTD software[1]-setting[15] n_layers = 9
MTD software[1]-setting[16] dropout = 0.0
MTD software[1]-setting[17] dim_intensity = None
MTD software[1]-setting[18] custom_encoder = None
MTD software[1]-setting[19] max_length = 100
MTD software[1]-setting[21] n_log = 1
MTD software[1]-setting[22] tb_summarywriter = None
MTD software[1]-setting[23] warmup_iters = 100000
MTD software[1]-setting[24] max_iters = 600000
MTD software[1]-setting[25] learning_rate = 0.0005
MTD software[1]-setting[26] weight_decay = 1e-05
MTD software[1]-setting[27] train_batch_size = 32
MTD software[1]-setting[28] predict_batch_size = 500
MTD software[1]-setting[29] n_beams = 5
MTD software[1]-setting[30] logger = None
MTD software[1]-setting[31] max_epochs = 30
MTD software[1]-setting[32] num_sanity_val_steps = 0
MTD software[1]-setting[33] train_from_scratch = True
MTD software[1]-setting[34] save_model = True
MTD software[1]-setting[35] model_save_folder_path =
MTD software[1]-setting[36] save_weights_only = True
MTD software[1]-setting[37] every_n_train_steps = 50000
MTD software[1]-setting[38] n_workers = 2
PSH sequence PSM_ID accession unique database database_version search_engine search_engine_score[1] modifications retention_time charge exp_mass_to_charge calc_mass_to_charge spectra_ref pre post start end opt_ms_run[1]_aa_scores
PSM GRPPLPHLDH 0 null null null null [MS, MS:1003281, Casanovo, 3.2.0] -0.4461659178137779 null null 3 383.86480712890625 380.20871870021335 ms_run[1]:index=0 null null null null 0.99904,0.98964,0.84902,0.83884,0.15015,0.29074,0.37499,0.27303,0.24778,0.52510
PSM MSSQVGSK 1 null null null null [MS, MS:1003281, Casanovo, 3.2.0] -0.5847856290638447 null null 2 414.07562255859375 412.20255281688003 ms_run[1]:index=1 null null null null 0.66640,0.17903,0.68226,0.17542,0.09976,0.49653,0.16292,0.85939
PSM AEKEEEDL 2 null null null null [MS, MS:1003281, Casanovo, 3.2.0] -0.62057808379177 null null 2 482.4651794433594 481.71928681688 ms_run[1]:index=2 null null null null 0.78819,0.11135,0.54621,0.33442,0.07876,0.21017,0.95678,0.00949
PSM SLVVRLR 3 null null null null [MS, MS:1003281, Casanovo, 3.2.0] -0.6672497125608581 null null 2 422.064208984375 421.7821618168801 ms_run[1]:index=3 null null null null 0.55333,0.13755,0.25205,0.09221,0.24880,0.30100,0.74432
PSM RFVC+57.021LGR 4 null null null null [MS, MS:1003281, Casanovo, 3.2.0] -0.49826620944908684 null null 2 456.0058898925781 454.2501723168801 ms_run[1]:index=4 null null null null 0.64091,0.11705,0.78480,0.14245,0.30823,0.88537,0.63334
PSM M+15.995GRFELSLGSK 5 null null null null [MS, MS:1003281, Casanovo, 3.2.0] -0.6490602075031017 null null 2 548.1034545898438 620.82135531688 ms_run[1]:index=5 null null null null 0.00007,0.99833,0.33735,0.11539,0.11253,0.34670,0.10920,0.14156,0.74239,0.13897,0.81784
PSM C+57.021EREEELR 6 null null null null [MS, MS:1003281, Casanovo, 3.2.0] -0.7006897050887346 null null 2 556.0919799804688 560.75621231688 ms_run[1]:index=6 null null null null 0.36012,0.10643,0.24204,0.12737,0.26283,0.09381,0.36487,0.83702
PSM GRVRRVK 7 null null null null [MS, MS:1003281, Casanovo, 3.2.0] -0.6030784249305725 null null 2 429.5518798828125 435.79085281688003 ms_run[1]:index=7 null null null null 0.74036,0.14125,0.25231,0.36535,0.23227,0.15053,0.89638
PSM GLRPLRPPSRPGR 8 null null null null [MS, MS:1003281, Casanovo, 3.2.0] -0.6124410377098963 null null 2 724.0575561523438 729.94185081688 ms_run[1]:index=8 null null null null 0.94275,0.25993,0.28488,0.46152,0.19087,0.15771,0.20314,0.93311,0.29306,0.45651,0.28668,0.14996,0.41815
PSM ERGRDSGGRSR 9 null null null null [MS, MS:1003281, Casanovo, 3.2.0] -0.6129438640041784 null null 2 616.4884033203125 616.81377281688 ms_run[1]:index=9 null null null null 0.58939,0.24340,0.23923,0.27543,0.16281,0.92394,0.42089,0.26815,0.50779,0.11710,0.50949
PSM PRPGGGGGGEPGGGGGDAERSR 10 null null null null [MS, MS:1003281, Casanovo, 3.2.0] -0.6521947007964958 null null 2 966.6580810546875 968.9520588168799 ms_run[1]:index=10 null null null null 0.85867,0.23986,0.17449,0.38569,0.33624,0.22499,0.21487,0.14844,0.16734,0.16227,0.87289,0.26140,0.27287,0.27244,0.12829,0.13885,0.85297,0.56897,0.47480,0.24787,0.11504,0.53247
PSM SRPLEEAGRPR 11 null null null null [MS, MS:1003281, Casanovo, 3.2.0] -0.5561954067511992 null null 2 635.0299682617188 634.34691731688 ms_run[1]:index=11 null null null null 0.75938,0.39603,0.79880,0.19599,0.30921,0.25349,0.79919,0.08429,0.50902,0.32400,0.45244
PSM GC+57.021SC+57.021GGLQGSC+57.021C+57.021DK 12 null null null null [MS, MS:1003281, Casanovo, 3.2.0] -0.6422870276229722 null null 2 774.0467529296875 773.2810868168801 ms_run[1]:index=12 null null null null 0.93265,0.14167,0.32720,0.26710,0.43062,0.20436,0.42087,0.11947,0.81677,0.11050,0.38653,0.21537,0.11314,0.52174
PSM GC+57.021PSC+57.021C+57.021EC+57.021ELLC+57.021GC+57.021C+57.021R 13 null null null null [MS, MS:1003281, Casanovo, 3.2.0] -0.6873424681834877 null null 2 1042.597900390625 1039.36090281688 ms_run[1]:index=13 null null null null 0.73166,0.22968,0.25070,0.08074,0.48584,0.17011,0.13177,0.65195,0.12170,0.21424,0.18802,0.92038,0.16399,0.15734,0.14085,0.36356
PSM RPGPSSSSSSSSSSAPGK 14 null null null null [MS, MS:1003281, Casanovo, 3.2.0] -0.6451315006448163 null null 2 824.1489868164062 825.38990281688 ms_run[1]:index=14 null null null null 0.89683,0.28996,0.57223,0.14994,0.39359,0.38325,0.46525,0.23898,0.28539,0.22619,0.19727,0.28087,0.20874,0.23145,0.12492,0.87455,0.47887,0.08935
PSM GPPRPSPGPPRPPGR 15 null null null null [MS, MS:1003281, Casanovo, 3.2.0] -0.579569403330485 null null 2 758.5711059570312 761.42349131688 ms_run[1]:index=15 null null null null 0.99910,0.22756,0.27339,0.18721,0.90413,0.25386,0.23608,0.34753,0.36826,0.22318,0.36666,0.89724,0.22042,0.21014,0.59169
PSM -17.027QFSVSGSEDGERSR 16 null null null null [MS, MS:1003281, Casanovo, 3.2.0] -0.6134571285675823 null null 2 765.5602416992188 762.33968281688 ms_run[1]:index=16 null null null null 0.00020,0.58778,0.37558,0.50266,0.11268,0.95565,0.20904,0.16704,0.15134,0.59550,0.62753,0.41759,0.20506,0.19376,0.69672
PSM GSPRPPPPPRPPSR 17 null null null null [MS, MS:1003281, Casanovo, 3.2.0] -0.6202651421938623 null null 2 750.5152587890625 747.91804131688 ms_run[1]:index=17 null null null null 0.73851,0.09462,0.31551,0.48421,0.18692,0.18814,0.39923,0.48567,0.32907,0.50670,0.88701,0.23143,0.13997,0.32929
PSM RPPQSLPSPEDAERSR 18 null null null null [MS, MS:1003281, Casanovo, 3.2.0] -0.5631687184795737 null null 2 908.072509765625 911.4637378168801 ms_run[1]:index=18 null null null null 0.83167,0.74420,0.60327,0.13304,0.27519,0.25185,0.26741,0.30498,0.15340,0.21123,0.87107,0.89104,0.36671,0.20911,0.13862,0.73650
PSM +42.011EAEEEEEEEEEEKEEEK 19 null null null null [MS, MS:1003281, Casanovo, 3.2.0] -0.6765503593617015 null null 2 1101.1851806640625 1097.9295123168804 ms_run[1]:index=19 null null null null 0.93779,0.59237,0.19215,0.25614,0.20161,0.24077,0.33458,0.32610,0.38515,0.38685,0.37736,0.26192,0.18614,0.11733,0.21038,0.15161,0.20326,0.46061
PSM RPRPDTEEEEDSRLSR 20 null null null null [MS, MS:1003281, Casanovo, 3.2.0] -0.6700926953926682 null null 2 992.6118774414062 986.4775688168801 ms_run[1]:index=20 null null null null 0.53384,0.37535,0.35582,0.13048,0.24458,0.26124,0.21336,0.23119,0.14443,0.13065,0.63876,0.73796,0.23265,0.10991,0.18494,0.75336
PSM SSRSSHSSESSSSSDVRSSR 21 null null null null [MS, MS:1003281, Casanovo, 3.2.0] -0.5779158882796764 null null 2 1051.5819091796875 1049.9708383168804 ms_run[1]:index=21 null null null null 0.97392,0.65507,0.27572,0.43297,0.24515,0.22152,0.70110,0.41574,0.16471,0.38502,0.28616,0.22942,0.25594,0.15603,0.72250,0.84691,0.39921,0.54224,0.23392,0.29843
PSM VPGGGGGGGGGGGGGGGSGGGGGGGGR 22 null null null null [MS, MS:1003281, Casanovo, 3.2.0] -0.6125287766809817 null null 2 903.584716796875 885.3865533168798 ms_run[1]:index=22 null null null null 0.51293,0.49640,0.33280,0.39725,0.30999,0.29846,0.33957,0.35192,0.46107,0.56359,0.51661,0.49513,0.44691,0.37404,0.42918,0.38970,0.54826,0.12636,0.41805,0.44943,0.50954,0.31963,0.27578,0.26108,0.19641,0.14786,0.49376
PSM SEPEEPQRDAAFRR 23 null null null null [MS, MS:1003281, Casanovo, 3.2.0] -0.5877793074718544 null null 2 843.60888671875 844.41097431688 ms_run[1]:index=23 null null null null 0.75880,0.17664,0.33714,0.12124,0.38651,0.96035,0.34342,0.29106,0.34307,0.59936,0.22635,0.28584,0.21184,0.72946
PSM DGRPLPGRPDLC+57.021RR 24 null null null null [MS, MS:1003281, Casanovo, 3.2.0] -0.6785634181329182 null null 2 832.1341552734375 832.9417223168799 ms_run[1]:index=24 null null null null 0.74849,0.55994,0.19498,0.20355,0.14082,0.13893,0.36600,0.15867,0.08365,0.74193,0.67841,0.14991,0.16886,0.16598
PSM C+57.021PPPRPPRPSSPLK 25 null null null null [MS, MS:1003281, Casanovo, 3.2.0] -0.6233795301190445 null null 2 785.0274658203125 793.43520981688 ms_run[1]:index=25 null null null null 0.67031,0.51539,0.20601,0.43983,0.16074,0.09547,0.22632,0.28171,0.10565,0.19079,0.12818,0.97483,0.69951,0.57795
PSM +42.011EAAGGGGGRGGGGGRGGGGRSR 26 null null null null [MS, MS:1003281, Casanovo, 3.2.0] -0.6432399587786716 null null 2 918.0604858398438 921.4447358168798 ms_run[1]:index=26 null null null null 0.71619,0.65161,0.42305,0.20894,0.39550,0.39213,0.31993,0.30224,0.40998,0.12583,0.35375,0.34001,0.33388,0.26046,0.30194,0.35603,0.18964,0.22208,0.33585,0.34460,0.33047,0.13062,0.76075
PSM ERPDTPGRDGERSR 27 null null null null [MS, MS:1003281, Casanovo, 3.2.0] -0.6385833248496056 null null 2 816.657470703125 814.39839381688 ms_run[1]:index=27 null null null null 0.45552,0.18270,0.11395,0.39086,0.50339,0.21874,0.18221,0.11569,0.92970,0.46744,0.29390,0.35873,0.13508,0.71191
PSM -17.027+42.011LAEEEEC+57.021RRK 28 null null null null [MS, MS:1003281, Casanovo, 3.2.0] -0.712846930164839 null null 2 683.128662109375 672.8142588168799 ms_run[1]:index=28 null null null null 0.00009,0.64063,0.17719,0.19013,0.23281,0.13668,0.12174,0.50690,0.41178,0.27486,0.21216,0.54086
PSM +42.011TASSEMTC+57.021EEEEK 29 null null null null [MS, MS:1003281, Casanovo, 3.2.0] -0.6095318155629295 null null 2 784.0296630859375 786.8056273168801 ms_run[1]:index=29 null null null null 0.99064,0.82696,0.34518,0.13102,0.19718,0.15842,0.43968,0.78204,0.13375,0.32085,0.38014,0.30150,0.18321,0.27599
PSM PRPPLSEA 30 null null null null [MS, MS:1003281, Casanovo, 3.2.0] -0.5530537907034159 null null 2 436.2544860839844 433.74015981688 ms_run[1]:index=30 null null null null 0.62877,0.76531,0.45465,0.15062,0.24482,0.73938,0.27920,0.31283
PSM +43.006-17.027+42.011PGYDDDHHR 31 null null null null [MS, MS:1003281, Casanovo, 3.2.0] -0.4876084069419526 null null 3 383.8638000488281 393.8201817002133 ms_run[1]:index=31 null null null null 0.00000,0.95002,0.33121,0.89904,0.49555,0.29615,0.29130,0.20755,0.20814,0.98874,0.96862
PSM GGRPGGGGGSGGGGGRPS 32 null null null null [MS, MS:1003281, Casanovo, 3.2.0] -0.6072375426689784 null null 2 698.10791015625 692.3272458168801 ms_run[1]:index=32 null null null null 0.97156,0.61504,0.35207,0.26685,0.31678,0.39027,0.38986,0.26909,0.46568,0.20504,0.16174,0.85534,0.40802,0.22217,0.34207,0.26627,0.44149,0.13039
PSM -17.027QPVPVPSSSLK 33 null null null null [MS, MS:1003281, Casanovo, 3.2.0] -0.5739845062295597 null null 2 566.0758056640625 561.3136888168799 ms_run[1]:index=33 null null null null 0.92381,0.22186,0.54376,0.18260,0.71731,0.13466,0.96534,0.62857,0.17496,0.14423,0.15169,0.32341
PSM Q+0.984GRPPPPPRPR 34 null null null null [MS, MS:1003281, Casanovo, 3.2.0] -0.6462019762653984 null null 2 563.580078125 628.35454631688 ms_run[1]:index=34 null null null null 0.00017,0.99755,0.31729,0.25215,0.19422,0.53948,0.48055,0.26469,0.26080,0.18458,0.40031
PSM KLAQLAGR 35 null null null null [MS, MS:1003281, Casanovo, 3.2.0] -0.6669316366314888 null null 2 422.06390380859375 428.77179481688 ms_run[1]:index=35 null null null null 0.47135,0.35369,0.29972,0.16174,0.14064,0.24095,0.18199,0.81447
PSM GRLLLEK 36 null null null null [MS, MS:1003281, Casanovo, 3.2.0] -0.6349193624087742 null null 2 414.07513427734375 414.76872031688004 ms_run[1]:index=36 null null null null 0.98834,0.22413,0.12946,0.13231,0.14462,0.13583,0.80088
PSM Q+0.984GGRGRGSGRSR 37 null null null null [MS, MS:1003281, Casanovo, 3.2.0] -0.6022851674351841 null null 2 548.1034545898438 616.32176581688 ms_run[1]:index=37 null null null null 0.00953,0.94340,0.29242,0.19026,0.35413,0.39287,0.94287,0.38538,0.21414,0.31340,0.17550,0.55868
PSM GRALRRK 38 null null null null [MS, MS:1003281, Casanovo, 3.2.0] -0.5563970633915493 null null 2 429.5519104003906 428.78302781688006 ms_run[1]:index=38 null null null null 0.94940,0.20312,0.16045,0.16421,0.29413,0.39738,0.93653
PSM SLDSERGR 39 null null null null [MS, MS:1003281, Casanovo, 3.2.0] -0.5517001785337925 null null 2 456.0073547363281 460.23322981688005 ms_run[1]:index=39 null null null null 0.86180,0.33256,0.34989,0.51239,0.29720,0.32683,0.18481,0.72092
PSM GRPLSGSGSGLL 40 null null null null [MS, MS:1003281, Casanovo, 3.2.0] -0.5062050955990951 null null 2 556.092529296875 550.80656231688 ms_run[1]:index=40 null null null null 0.99992,0.72701,0.68849,0.10854,0.25012,0.46942,0.37918,0.22213,0.23691,0.27216,0.78839,0.78325";
const CASANOVO_V4_2_1: &str = r"MTD mzTab-version 1.0.0
MTD mzTab-mode Summary
MTD mzTab-type Identification
MTD description Casanovo identification file 20191211_F1_Ag5_peng0013_SA_her_tryp_c421
MTD software[1] [MS, MS:1003281, Casanovo, 4.2.1]
MTD psm_search_engine_score[1] [MS, MS:1001143, search engine specific score for PSMs, ]
MTD fixed_mod[1] [UNIMOD, UNIMOD:4, Carbamidomethyl, ]
MTD fixed_mod[1]-site C
MTD variable_mod[1] [UNIMOD, UNIMOD:7, Deamidated, ]
MTD variable_mod[1]-site N
MTD variable_mod[2] [UNIMOD, UNIMOD:7, Deamidated, ]
MTD variable_mod[2]-site Q
MTD variable_mod[3] [UNIMOD, UNIMOD:35, Oxidation, ]
MTD variable_mod[3]-site M
MTD variable_mod[4] [UNIMOD, UNIMOD:5, Carbamyl, ]
MTD variable_mod[4]-site N-term
MTD variable_mod[5] [UNIMOD, UNIMOD:1, Acetyl, ]
MTD variable_mod[5]-site N-term
MTD variable_mod[6] [UNIMOD, UNIMOD:385, Ammonia-loss, ]
MTD variable_mod[6]-site N-term
MTD software[1]-setting[1] model = /home/douwe/.cache/casanovo/casanovo_v4_2_0_v4_2_0.ckpt
MTD software[1]-setting[2] config_filename = default
MTD software[1]-setting[3] precursor_mass_tol = 50.0
MTD software[1]-setting[4] isotope_error_range = (0, 1)
MTD software[1]-setting[5] min_peptide_len = 6
MTD software[1]-setting[6] predict_batch_size = 1024
MTD software[1]-setting[7] n_beams = 1
MTD software[1]-setting[8] top_match = 1
MTD software[1]-setting[9] accelerator = auto
MTD software[1]-setting[10] devices = None
MTD software[1]-setting[11] random_seed = 454
MTD software[1]-setting[12] n_log = 1
MTD software[1]-setting[13] tb_summarywriter = None
MTD software[1]-setting[14] save_top_k = 5
MTD software[1]-setting[15] model_save_folder_path =
MTD software[1]-setting[16] val_check_interval = 50000
MTD software[1]-setting[17] n_peaks = 150
MTD software[1]-setting[18] min_mz = 50.0
MTD software[1]-setting[19] max_mz = 2500.0
MTD software[1]-setting[20] min_intensity = 0.01
MTD software[1]-setting[21] remove_precursor_tol = 2.0
MTD software[1]-setting[22] max_charge = 10
MTD software[1]-setting[23] dim_model = 512
MTD software[1]-setting[24] n_head = 8
MTD software[1]-setting[25] dim_feedforward = 1024
MTD software[1]-setting[26] n_layers = 9
MTD software[1]-setting[27] dropout = 0.0
MTD software[1]-setting[28] dim_intensity = None
MTD software[1]-setting[29] max_length = 100
MTD software[1]-setting[30] warmup_iters = 100000
MTD software[1]-setting[31] cosine_schedule_period_iters = 600000
MTD software[1]-setting[32] learning_rate = 0.0005
MTD software[1]-setting[33] weight_decay = 1e-05
MTD software[1]-setting[34] train_label_smoothing = 0.01
MTD software[1]-setting[35] train_batch_size = 32
MTD software[1]-setting[36] max_epochs = 30
MTD software[1]-setting[37] num_sanity_val_steps = 0
MTD software[1]-setting[38] calculate_precision = False
MTD software[1]-setting[40] n_workers = 8
MTD ms_run[1]-location file:///home/douwe/casanovo/20191211_F1_Ag5_peng0013_SA_her_tryp.mgf
PSH sequence PSM_ID accession unique database database_version search_engine search_engine_score[1] modifications retention_time charge exp_mass_to_charge calc_mass_to_charge spectra_ref pre post start end opt_ms_run[1]_aa_scores
PSM KGWASDEEAEK 1 null null null null [MS, MS:1003281, Casanovo, 4.2.1] -0.4668271640936533 null null 3.0 414.85345 417.1946917002133 ms_run[1]:index=0 null null null null 0.71591,0.34916,0.33638,0.36535,0.42044,0.60458,0.75123,0.50584,0.69560,0.38215,0.50953
PSM +42.011M+15.995EDENRFLR 2 null null null null [MS, MS:1003281, Casanovo, 4.2.1] -0.30652115832675586 null null 2.0 635.74146 634.2904193168799 ms_run[1]:index=1 null null null null 0.82141,0.60502,0.83577,0.70414,0.70981,0.81483,0.66209,0.46569,0.54220,0.62549
PSM SPC+57.021DARC+57.021DVGRK 3 null null null null [MS, MS:1003281, Casanovo, 4.2.1] -0.5030156717850611 null null 3.0 476.1977 474.2188490335467 ms_run[1]:index=2 null null null null 0.56810,0.52984,0.65495,0.63893,0.41976,0.49837,0.36805,0.40090,0.48802,0.33700,0.35295,0.46221
PSM LPVKQAD 4 null null null null [MS, MS:1003281, Casanovo, 4.2.1] 0.9869352504611015 null null 2.0 385.72415 385.72397881688 ms_run[1]:index=3 null null null null 0.98968,0.98792,0.98733,0.98845,0.98846,0.98750,0.97786
PSM DEEREEEALRR 5 null null null null [MS, MS:1003281, Casanovo, 4.2.1] -0.5342201627790928 null null 2.0 713.79224 716.3447683168799 ms_run[1]:index=4 null null null null 0.72203,0.45166,0.33947,0.30247,0.33964,0.30754,0.32689,0.44858,0.67535,0.57022,0.37796
PSM DHYQDKTPLGDGPV 6 null null null null [MS, MS:1003281, Casanovo, 4.2.1] -0.12772533694903054 null null 2.0 770.8556 771.3651663168799 ms_run[1]:index=5 null null null null 0.83481,0.92799,0.92870,0.83146,0.92028,0.93129,0.93092,0.93126,0.52231,0.75507,0.86222,0.93383,0.92821,0.91446
PSM KPEEDDKLLGLLLDEKLDEDLLRLEFEELLHHLLK 7 null null null null [MS, MS:1003281, Casanovo, 4.2.1] -0.8000616195301214 null null 5.0 1975.1912 843.0628148068802 ms_run[1]:index=6 null null null null 0.45919,0.22945,0.27336,0.18997,0.19180,0.22367,0.22266,0.22601,0.24597,0.20008,0.20599,0.16544,0.17550,0.17820,0.19395,0.17535,0.17482,0.16696,0.18901,0.18706,0.16894,0.16576,0.17201,0.18574,0.16877,0.17020,0.16283,0.18874,0.17663,0.17180,0.19102,0.20026,0.18106,0.19693,0.23231
PSM TLSFKSDYEKLRDLDKFE 8 null null null null [MS, MS:1003281, Casanovo, 4.2.1] 0.6495024808927586 null null 4.0 559.5382 559.28894014188 ms_run[1]:index=7 null null null null 0.81375,0.81804,0.81889,0.53001,0.41595,0.42108,0.45895,0.41373,0.37215,0.44860,0.43550,0.69372,0.79552,0.82069,0.80306,0.82243,0.81808,0.82004
PSM TRSLFKLGYKEEEEKEKFE 9 null null null null [MS, MS:1003281, Casanovo, 4.2.1] 0.6104551821947097 null null 4.0 598.5629 598.3114096418801 ms_run[1]:index=8 null null null null 0.79291,0.79848,0.41749,0.46241,0.39550,0.44279,0.47228,0.51870,0.54209,0.47879,0.40346,0.61118,0.56477,0.79214,0.79903,0.52375,0.78824,0.80227,0.80234
PSM +42.011TELRKLKVKKPLLENLYFQA 10 null null null null [MS, MS:1003281, Casanovo, 4.2.1] 0.5719454837116328 null null 4.0 619.3616 619.1189786418798 ms_run[1]:index=9 null null null null 0.77429,0.77845,0.78180,0.78385,0.78019,0.66530,0.77463,0.54082,0.47907,0.38980,0.55945,0.39603,0.50663,0.39947,0.39379,0.36030,0.39004,0.44699,0.38259,0.51537,0.70288
PSM SEEEEEEEEEEEEEEEEEEEEK 11 null null null null [MS, MS:1003281, Casanovo, 4.2.1] -0.5807497157998707 null null 4.0 701.8371 704.5046303918804 ms_run[1]:index=10 null null null null 0.53498,0.32173,0.32228,0.35423,0.53905,0.42973,0.41647,0.41693,0.40582,0.35936,0.37880,0.40567,0.42720,0.42694,0.41314,0.40319,0.40896,0.40266,0.39474,0.32338,0.31822,0.53773
PSM +42.011GEVGPAAPGRPR 12 null null null null [MS, MS:1003281, Casanovo, 4.2.1] -0.4188014236944062 null null 3.0 399.56613 402.55103336688 ms_run[1]:index=11 null null null null 0.48574,0.38720,0.52595,0.47738,0.44245,0.65413,0.65194,0.75592,0.71475,0.45976,0.47650,0.54988,0.76942
PSM EFGKDDFFLK 13 null null null null [MS, MS:1003281, Casanovo, 4.2.1] -0.6841302947564558 null null 3.0 417.21204 415.8765230335466 ms_run[1]:index=12 null null null null 0.47184,0.22433,0.23184,0.26870,0.37998,0.22394,0.24172,0.23062,0.28609,0.26409
PSM GVQAEKPSPGQLR 14 null null null null [MS, MS:1003281, Casanovo, 4.2.1] -0.5900209349180972 null null 3.0 455.2458 456.25276436687994 ms_run[1]:index=13 null null null null 0.47264,0.32825,0.32768,0.69512,0.42923,0.28495,0.25458,0.32470,0.30028,0.47913,0.39899,0.35678,0.38782
PSM EKLKQELLEC+57.021DK 15 null null null null [MS, MS:1003281, Casanovo, 4.2.1] 0.33597011405688065 null null 3.0 511.5984 511.60447470021336 ms_run[1]:index=14 null null null null 0.43114,0.26920,0.25682,0.23363,0.26460,0.23104,0.22980,0.23213,0.44671,0.45800,0.34734,0.30437
PSM VNPRPPLPT 16 null null null null [MS, MS:1003281, Casanovo, 4.2.1] -0.37625644803047176 null null 2.0 497.7893 495.7901798168801 ms_run[1]:index=15 null null null null 0.78954,0.80705,0.46197,0.55043,0.51690,0.68502,0.47104,0.50272,0.64631
PSM RLSLLADKEDEEEEEEEEEREESEK 17 null null null null [MS, MS:1003281, Casanovo, 4.2.1] -0.5005050049378321 null null 3.0 1026.4467 1027.128499700214 ms_run[1]:index=16 null null null null 0.48983,0.35205,0.30345,0.35904,0.41366,0.40397,0.34164,0.38032,0.56106,0.50701,0.48330,0.43197,0.45054,0.53029,0.57068,0.73196,0.43954,0.50300,0.43214,0.47644,0.58200,0.65782,0.41789,0.68160,0.74074
PSM YQQKPGKAPK 18 null null null null [MS, MS:1003281, Casanovo, 4.2.1] 0.9906805482777682 null null 3.0 382.2206 382.22062470021336 ms_run[1]:index=17 null null null null 0.99106,0.99036,0.99120,0.99078,0.99045,0.99148,0.99104,0.99076,0.99007,0.99039
PSM C+57.021N+0.984NVNHKPSNTK 19 null null null null [MS, MS:1003281, Casanovo, 4.2.1] -0.11052017945509696 null null 3.0 476.90186 471.8894937002133 ms_run[1]:index=18 null null null null 0.94051,0.94121,0.94146,0.94086,0.94049,0.94115,0.94070,0.93987,0.94063,0.93688,0.64209,0.57897
PSM QQKPGKAPK 20 null null null null [MS, MS:1003281, Casanovo, 4.2.1] 0.9901066958904267 null null 2.0 491.29605 491.29563431688007 ms_run[1]:index=19 null null null null 0.99137,0.99006,0.99039,0.99133,0.99002,0.99128,0.98936,0.98879,0.98814
PSM YQQKPGKAPK 21 null null null null [MS, MS:1003281, Casanovo, 4.2.1] 0.9904172420501709 null null 2.0 572.82764 572.82729881688 ms_run[1]:index=20 null null null null 0.99111,0.98924,0.99100,0.99079,0.99087,0.99159,0.99202,0.98938,0.98912,0.98976
PSM VYQQKPGKAPK 22 null null null null [MS, MS:1003281, Casanovo, 4.2.1] -0.05620688696702325 null null 2.0 621.81116 622.36150581688 ms_run[1]:index=21 null null null null 0.96814,0.96651,0.96427,0.96865,0.96909,0.96734,0.96793,0.96582,0.96274,0.96367,0.69509
PSM LNGHYEGVVR 23 null null null null [MS, MS:1003281, Casanovo, 4.2.1] -0.2613199366764589 null null 3.0 386.19342 381.86836203354665 ms_run[1]:index=22 null null null null 0.67371,0.65330,0.63003,0.86526,0.86538,0.86516,0.67550,0.85691,0.48104,0.69511
PSM YQGEKPGKAPK 24 null null null null [MS, MS:1003281, Casanovo, 4.2.1] 0.9531161785125732 null null 3.0 401.55554 401.55578436688 ms_run[1]:index=23 null null null null 0.96872,0.97300,0.97126,0.97169,0.95169,0.96628,0.95899,0.82297,0.94970,0.96106,0.97073
PSM +43.006KNNVNHKPSNTKVDK 25 null null null null [MS, MS:1003281, Casanovo, 4.2.1] -0.09528706967830658 null null 3.0 590.96466 589.3149710335467 ms_run[1]:index=24 null null null null 0.94769,0.94860,0.94759,0.94794,0.94646,0.94418,0.94911,0.94785,0.94705,0.94709,0.94554,0.94825,0.94559,0.57480,0.68221,0.86243
PSM +42.011VTLQKPK 26 null null null null [MS, MS:1003281, Casanovo, 4.2.1] -0.2976924777030945 null null 2.0 427.26663 428.26854931688007 ms_run[1]:index=25 null null null null 0.83636,0.70101,0.59224,0.64751,0.58062,0.63313,0.76378,0.72141
PSM KGRPPWPK 27 null null null null [MS, MS:1003281, Casanovo, 4.2.1] -0.26536740528212654 null null 2.0 482.78302 483.2876118168801 ms_run[1]:index=26 null null null null 0.83896,0.82870,0.57694,0.75531,0.77734,0.52745,0.66851,0.77593
PSM PPTQTLLSSSK 28 null null null null [MS, MS:1003281, Casanovo, 4.2.1] -0.5439809982975323 null null 2.0 578.78656 579.82186931688 ms_run[1]:index=27 null null null null 0.51458,0.41971,0.37353,0.41510,0.32155,0.36392,0.69286,0.36295,0.31507,0.45638,0.51349
PSM QQPPSREGSSSR 29 null null null null [MS, MS:1003281, Casanovo, 4.2.1] -0.5449346384176841 null null 2.0 648.7706 658.32109631688 ms_run[1]:index=28 null null null null 0.55401,0.45291,0.54894,0.53092,0.71566,0.33439,0.29271,0.31285,0.36908,0.55939,0.41774,0.59972
PSM QAAHVHLNLK 30 null null null null [MS, MS:1003281, Casanovo, 4.2.1] -0.564722177657214 null null 3.0 376.54584 377.55248536688003 ms_run[1]:index=29 null null null null 0.58587,0.28512,0.35858,0.28698,0.34009,0.33840,0.48669,0.46075,0.45128,0.49001
PSM YYM+15.995EKESPK 31 null null null null [MS, MS:1003281, Casanovo, 4.2.1] -0.49976964890956876 null null 3.0 394.87015 397.51811870021334 ms_run[1]:index=30 null null null null 0.73877,0.72003,0.38079,0.36266,0.34880,0.35428,0.37396,0.54213,0.43632
PSM TLLPTKGDETHK 32 null null null null [MS, MS:1003281, Casanovo, 4.2.1] -0.3270964244237313 null null 3.0 449.5596 447.2453780335467 ms_run[1]:index=31 null null null null 0.82856,0.50023,0.44879,0.48431,0.47000,0.49420,0.77733,0.82265,0.82804,0.60577,0.82536,0.83141
PSM +43.006GPAQVNHKPSNTK 33 null null null null [MS, MS:1003281, Casanovo, 4.2.1] -0.13784322341283162 null null 2.0 714.84985 710.8682098168799 ms_run[1]:index=32 null null null null 0.92786,0.92476,0.92761,0.92677,0.92637,0.92712,0.92772,0.92176,0.91945,0.62280,0.92321,0.91419,0.57050,0.64587
PSM YTVHGLRNTPSELLRNPK 34 null null null null [MS, MS:1003281, Casanovo, 4.2.1] -0.5817308190621828 null null 4.0 523.2892 524.5406273918799 ms_run[1]:index=33 null null null null 0.67938,0.40029,0.27915,0.37005,0.28451,0.31680,0.32418,0.37489,0.66163,0.31667,0.38008,0.32834,0.47863,0.49250,0.53643,0.34708,0.34254,0.32973
PSM TLSKGEEYKHK 35 null null null null [MS, MS:1003281, Casanovo, 4.2.1] 0.8675841962297758 null null 3.0 440.56982 440.5699787002133 ms_run[1]:index=34 null null null null 0.92861,0.92590,0.91094,0.57876,0.81192,0.82651,0.92971,0.79138,0.92464,0.92545,0.92812
PSM LQEHPNLFNLER 36 null null null null [MS, MS:1003281, Casanovo, 4.2.1] -0.5211820252812825 null null 3.0 503.59927 503.9318017002133 ms_run[1]:index=35 null null null null 0.65360,0.30553,0.37917,0.30400,0.29878,0.34979,0.35247,0.66186,0.60661,0.48835,0.40691,0.68408
PSM ATKPAEPAAPA 37 null null null null [MS, MS:1003281, Casanovo, 4.2.1] -0.29470343639453256 null null 2.0 508.78036 512.27710281688 ms_run[1]:index=36 null null null null 0.49155,0.80568,0.59178,0.83962,0.84927,0.70907,0.56691,0.83208,0.81822,0.50034,0.61119
PSM TPTTFTLSSLK 38 null null null null [MS, MS:1003281, Casanovo, 4.2.1] -0.6585477354625862 null null 2.0 601.83105 598.33206131688 ms_run[1]:index=37 null null null null 0.49606,0.24439,0.25802,0.25530,0.24457,0.25336,0.24752,0.42064,0.27782,0.35260,0.38190
PSM LNGGNNHTGEK 39 null null null null [MS, MS:1003281, Casanovo, 4.2.1] -0.5278554943700631 null null 2.0 579.2828 570.77324631688 ms_run[1]:index=38 null null null null 0.59246,0.34809,0.47594,0.72999,0.35148,0.35545,0.30616,0.42239,0.51386,0.50807,0.34118";
const CONTRANOVO_V1_0_0: &str = r"MTD mzTab-version 1.0.0
MTD mzTab-mode Summary
MTD mzTab-type Identification
MTD description Casanovo identification file 20230408_F1_UM4_Peng0013_SA_EXT00_her_01_tryp_formatted4_pointnovo
MTD software[1] [MS, MS:1003281, Casanovo, 0.1]
MTD psm_search_engine_score[1] [MS, MS:1001143, search engine specific score for PSMs, ]
MTD fixed_mod[1] [UNIMOD, UNIMOD:4, Carbamidomethyl, ]
MTD fixed_mod[1]-site C
MTD variable_mod[1] [UNIMOD, UNIMOD:7, Deamidated, ]
MTD variable_mod[1]-site N
MTD variable_mod[2] [UNIMOD, UNIMOD:7, Deamidated, ]
MTD variable_mod[2]-site Q
MTD variable_mod[3] [UNIMOD, UNIMOD:35, Oxidation, ]
MTD variable_mod[3]-site M
MTD variable_mod[4] [UNIMOD, UNIMOD:5, Carbamyl, ]
MTD variable_mod[4]-site N-term
MTD variable_mod[5] [UNIMOD, UNIMOD:1, Acetyl, ]
MTD variable_mod[5]-site N-term
MTD variable_mod[6] [UNIMOD, UNIMOD:385, Ammonia-loss, ]
MTD variable_mod[6]-site N-term
MTD software[1]-setting[1] peak_path = ../test_data/20230408_F1_UM4_Peng0013_SA_EXT00_her_01_tryp_formatted4_pointnovo.mgf
MTD software[1]-setting[2] model = ContraNovo/ControNovo.ckpt
MTD software[1]-setting[3] config_filename = /home/auke/ContraNovo/ContraNovo/config.yaml
MTD software[1]-setting[4] random_seed = 200
MTD software[1]-setting[5] n_peaks = 300
MTD software[1]-setting[6] min_mz = 50.5
MTD software[1]-setting[7] max_mz = 4500.0
MTD software[1]-setting[8] min_intensity = 0.0
MTD software[1]-setting[9] remove_precursor_tol = 2.0
MTD software[1]-setting[10] max_charge = 10
MTD software[1]-setting[11] precursor_mass_tol = 50.0
MTD software[1]-setting[12] isotope_error_range = (0, 1)
MTD software[1]-setting[13] dim_model = 512
MTD software[1]-setting[14] n_head = 8
MTD software[1]-setting[15] dim_feedforward = 1024
MTD software[1]-setting[16] n_layers = 9
MTD software[1]-setting[17] dropout = 0.18
MTD software[1]-setting[18] dim_intensity = None
MTD software[1]-setting[19] custom_encoder = None
MTD software[1]-setting[20] max_length = 100
MTD software[1]-setting[22] n_log = 1
MTD software[1]-setting[23] tb_summarywriter = None
MTD software[1]-setting[24] enable_neptune = True
MTD software[1]-setting[25] neptune_project = DeNovo/clip
MTD software[1]-setting[26] neptune_api_token = None
MTD software[1]-setting[27] tags = ['9-speice', 'bacillus', 'Lr = 0.0002 dp 0.15,0.4']
MTD software[1]-setting[28] n_nodes = 1
MTD software[1]-setting[29] train_from_resume = False
MTD software[1]-setting[30] warmup_iters = None
MTD software[1]-setting[31] max_iters = None
MTD software[1]-setting[32] max_epochs = 150
MTD software[1]-setting[33] warm_up_epochs = 1
MTD software[1]-setting[34] learning_rate = 0.0004
MTD software[1]-setting[35] weight_decay = 1e-05
MTD software[1]-setting[36] gradient_clip_val = 1.5
MTD software[1]-setting[37] gradient_clip_algorithm = norm
MTD software[1]-setting[38] accumulate_grad_batches = 1
MTD software[1]-setting[39] sync_batchnorm = False
MTD software[1]-setting[40] SWA = False
MTD software[1]-setting[41] train_batch_size = 16
MTD software[1]-setting[42] predict_batch_size = 512
MTD software[1]-setting[43] n_beams = 5
MTD software[1]-setting[44] logger = None
MTD software[1]-setting[45] num_sanity_val_steps = 0
MTD software[1]-setting[46] train_from_scratch = True
MTD software[1]-setting[47] save_model = True
MTD software[1]-setting[48] model_save_folder_path = ./clipcasa
MTD software[1]-setting[49] save_weights_only = True
MTD software[1]-setting[50] every_n_train_steps = 2500
MTD software[1]-setting[51] n_workers = 8
MTD ms_run[1]-location file:///home/auke/test_data/20230408_F1_UM4_Peng0013_SA_EXT00_her_01_tryp_formatted4_pointnovo.mgf
PSH sequence PSM_ID accession unique database database_version search_engine search_engine_score[1] modifications retention_time charge exp_mass_to_charge calc_mass_to_charge spectra_ref pre post start end opt_ms_run[1]_aa_scores
PSM KLEEEELQKTEEQQLEDKKEEEEEEEEWNKFDKDC+57.021LYSLSTGST 1 null null null null [MS, MS:1003281, Casanovo, 0.1] 0.44305550374768 null null 4 1353.1163330078125 1353.1176041418798 ms_run[1]:0 null null null null 0.97496,0.77788,0.30081,0.36956,0.15416,0.31847,0.47165,0.30486,0.09371,0.41130,0.22300,0.17485,0.59561,0.12926,0.24904,0.20860,0.24107,0.28298,0.20957,0.33537,0.34288,0.12794,0.23933,0.39911,0.27495,0.69186,0.34929,0.33876,0.18698,0.40428,0.76069,0.93643,0.17847,0.98660,0.38581,0.28683,0.14022,0.99872,0.75276,0.99989,0.34070,0.54571,0.99998,0.99954
PSM TTTGQEEEDKLTVKWEYEEEEKKEEEEEEEKEERPEEESLSSAST 2 null null null null [MS, MS:1003281, Casanovo, 0.1] 0.514036755470766 null null 4 1349.11279296875 1348.85249139188 ms_run[1]:0 null null null null 0.99973,0.98592,0.91572,0.47818,0.48555,0.26641,0.29031,0.75039,0.11121,0.37211,0.53405,0.56592,0.11919,0.57706,0.53705,0.20620,0.55043,0.54644,0.47721,0.69136,0.37119,0.13717,0.25137,0.42755,0.34534,0.36220,0.45057,0.64610,0.69246,0.27098,0.42418,0.79126,0.58493,0.40822,0.11786,0.60609,0.90366,0.02768,0.98699,0.31950,0.99640,0.96313,0.32538,0.99977,0.26121
PSM LSTTSDTLKQEEWEYAFKEDKLELEELEEDSKDFNKDSDNYTSGST 3 null null null null [MS, MS:1003281, Casanovo, 0.1] 0.41807935386896133 null null 4 1349.3675537109375 1349.36403189188 ms_run[1]:0 null null null null 0.99998,0.96658,0.85805,0.43231,0.27559,0.40721,0.16042,0.19993,0.29198,0.12498,0.20795,0.31189,0.09612,0.18092,0.24717,0.39385,0.16277,0.42527,0.17207,0.24282,0.23854,0.15551,0.15816,0.17264,0.40371,0.20304,0.31455,0.16245,0.30171,0.49564,0.67912,0.16103,0.44414,0.06670,0.53131,0.68985,0.24201,0.84669,0.43852,0.05140,0.77743,0.99855,0.95179,0.85403,0.99993,0.73530
PSM +43.006LKTEDLKEEEEEEEEEEEDEEKLELEEEKLDKLEDHLDSLTSGTS 4 null null null null [MS, MS:1003281, Casanovo, 0.1] 0.3557239900464597 null null 4 1348.869384765625 1348.8640658918803 ms_run[1]:0 null null null null 1.00000,0.43703,0.65362,0.24261,0.14579,0.17645,0.30894,0.34765,0.15184,0.19118,0.19583,0.21353,0.21952,0.16750,0.28247,0.20801,0.23009,0.36673,0.18248,0.18102,0.26396,0.20715,0.28872,0.11996,0.21875,0.16509,0.28270,0.21085,0.29798,0.16432,0.17202,0.17211,0.28874,0.21747,0.30020,0.40727,0.19853,0.56933,0.29309,0.99702,0.32247,0.99880,0.98003,0.98018,0.99990,0.34439
PSM VSSSANTSALELLFRPLLEDLDDDEDVDKEDSDKDC+57.021LDDDDFSLGTSST 5 null null null null [MS, MS:1003281, Casanovo, 0.1] 0.4131583256685004 null null 4 1353.1104736328125 1353.1046931418791 ms_run[1]:0 null null null null 0.99983,0.84582,0.52171,0.43607,0.18439,0.22451,0.69929,0.72149,0.36816,0.32263,0.06194,0.36924,0.36457,0.07038,0.31396,0.64794,0.26952,0.31114,0.14229,0.21552,0.21006,0.20938,0.19417,0.12712,0.26782,0.26856,0.12600,0.30162,0.07219,0.25216,0.34055,0.39511,0.19573,0.46949,0.36790,0.58072,0.10060,0.54010,0.67349,0.64274,0.14173,0.22838,0.99958,0.77735,0.99987,0.30467,0.60988,0.99996,0.75742
PSM ATTATAEALDKLEEWYAYLHSDLKDDEEEEEEKGDEDDKLDSLSSAST 6 null null null null [MS, MS:1003281, Casanovo, 0.1] 0.43965837576737005 null null 4 1348.856201171875 1348.8563078918794 ms_run[1]:0 null null null null 0.99999,0.94427,0.66264,0.21490,0.39670,0.31395,0.32434,0.18998,0.35301,0.33828,0.52177,0.23028,0.20585,0.34579,0.15691,0.22099,0.55226,0.70039,0.27695,0.25140,0.35208,0.22060,0.21861,0.53947,0.55232,0.21715,0.30818,0.29232,0.38844,0.29181,0.22936,0.12010,0.62431,0.18308,0.43247,0.28199,0.26540,0.84728,0.14235,0.52586,0.72477,0.99544,0.53985,0.99978,0.96912,0.06582,0.99984,0.57516
PSM LGTSQETEWKEEQFLAYAEEDKDAEDWKLEEKLEFDHEDTVTSGTS 7 null null null null [MS, MS:1003281, Casanovo, 0.1] 0.4712260632735232 null null 4 1349.1146240234375 1349.1127463918804 ms_run[1]:0 null null null null 0.99996,0.87432,0.58201,0.98789,0.36327,0.20180,0.70200,0.27643,0.42053,0.24658,0.20502,0.19292,0.23883,0.27728,0.19913,0.64066,0.97691,0.49822,0.22642,0.43439,0.36102,0.35314,0.32060,0.11910,0.70667,0.19191,0.28517,0.23340,0.37241,0.26007,0.19294,0.59855,0.29867,0.13327,0.63639,0.48699,0.08726,0.27886,0.71112,0.98700,0.09813,0.97997,0.99585,0.96247,0.99988,0.48104
PSM +43.006GSYGYFC+57.021MSFTSPRPPQSSSSSSSYYR 8 null null null null [MS, MS:1003281, Casanovo, 0.1] 0.7111643430377755 null null 4 779.8430786132812 779.8341831418801 ms_run[1]:0 null null null null 1.00000,0.99928,0.61962,0.52775,0.51840,0.86637,0.53336,0.87908,0.85622,0.53942,0.99859,0.90330,0.44729,0.84114,0.91095,0.12435,0.98211,0.25006,0.51117,0.97233,0.45908,0.74452,0.60175,0.83218,0.74001,0.25748,0.99967,0.99712
PSM LC+57.021N+0.984VNHKPSNTKVDK 9 null null null null [MS, MS:1003281, Casanovo, 0.1] 0.9884099205334981 null null 4 439.4770812988281 439.47680364188005 ms_run[1]:0 null null null null 0.99999,0.99998,0.99994,0.99995,0.83759,0.99999,0.99999,0.99999,0.99998,0.99024,0.99996,0.99995,0.99992,0.99901,0.99967
PSM HSKC+57.021YYGFPHQRYEEQYNSTYR 10 null null null null [MS, MS:1003281, Casanovo, 0.1] 0.8234122578393329 null null 4 729.0728759765625 729.07540264188 ms_run[1]:0 null null null null 1.00000,0.83961,0.19054,0.95173,0.88183,0.34916,0.98129,0.98188,0.91361,0.60749,0.87774,0.91961,0.77453,0.27814,0.95546,0.94664,0.70434,0.96627,0.99985,0.99800,0.99998,0.99738
PSM +43.006HEEQC+57.021YYSDTKPNREYYWNSTYR 11 null null null null [MS, MS:1003281, Casanovo, 0.1] 0.7043743760635456 null null 4 783.8417358398438 783.8348756418801 ms_run[1]:0 null null null null 1.00000,0.99939,0.52497,0.23755,0.28598,0.87075,0.91967,0.82282,0.99843,0.99613,0.75445,0.63387,0.90550,0.15781,0.65341,0.14815,0.18379,0.33193,0.59467,0.89373,0.99833,0.99970,0.99994,0.99403
PSM +43.006EDKYMC+57.021SDC+57.021GKPPSGC+57.021TC+57.021TVDHKPSNTK 12 null null null null [MS, MS:1003281, Casanovo, 0.1] 0.7504192369649837 null null 5 661.2783813476562 661.2786024068799 ms_run[1]:0 null null null null 1.00000,0.77037,0.41518,0.34094,0.09274,0.68083,0.84236,0.97499,0.10502,0.97049,0.92313,0.03512,0.94022,0.77193,0.52368,0.81130,0.87513,0.81807,0.99240,0.00015,0.99995,0.99804,0.99999,0.99989,0.99999,0.99991,0.97226,0.99996,0.90811
PSM LTC+57.021YYGEPEQVREEQNMNSTYR 13 null null null null [MS, MS:1003281, Casanovo, 0.1] 0.8204205296933651 null null 4 692.5576171875 692.5576173918801 ms_run[1]:0 null null null null 0.99992,0.88430,0.79301,0.81179,0.94428,0.95777,0.47206,0.98215,0.29375,0.66168,0.98606,0.89750,0.98240,0.75751,0.70679,0.83775,0.10310,0.98099,0.99978,0.99953,0.99990,0.99722
PSM LLLEPEEEEEEEEEEAGEEEEEEEEEEEEEEEEEEELQ+0.984RTEEEEAKEEALKR 14 null null null null [MS, MS:1003281, Casanovo, 0.1] 0.7150767401147348 null null 5 1280.1556396484375 1279.9337194068805 ms_run[1]:0 null null null null 0.99969,0.57868,0.81944,0.57340,0.29217,0.73978,0.19699,0.91966,0.77690,0.58262,0.79238,0.87379,0.93634,0.93448,0.16881,0.30979,0.87217,0.84084,0.82761,0.65280,0.98648,0.97120,0.97184,0.98567,0.35210,0.98990,0.91811,0.99589,0.97367,0.90031,0.67746,0.91392,0.76999,0.40198,0.77688,0.78105,0.82760,0.60323,0.79419,0.08626,0.84870,0.60835,0.92646,0.68036,0.92797,0.70585,0.54158,0.83825,0.51298,0.25737,0.09268,0.87740
PSM +43.006C+57.021YFC+57.021TDFDSTLRGEFTNMVSTYR 15 null null null null [MS, MS:1003281, Casanovo, 0.1] 0.6927950376023849 null null 3 971.7594604492188 971.7473990335467 ms_run[1]:0 null null null null 1.00000,0.92055,0.99963,0.95899,0.78109,0.72074,0.97728,0.99953,0.54296,0.49947,0.29890,0.50482,0.97972,0.69091,0.37223,0.44133,0.18766,0.29558,0.72051,0.16928,0.98987,0.58448,0.99818,0.99336
PSM AEGTGTGYSC+57.021DFDLNTVVEYEC+57.021RPGYR 16 null null null null [MS, MS:1003281, Casanovo, 0.1] 0.8605344596284407 null null 3 1039.453857421875 1039.4501903668802 ms_run[1]:0 null null null null 0.99999,0.86460,0.99762,0.20947,0.99990,0.89011,0.99965,0.97949,0.84940,0.86107,0.99703,0.99240,0.98224,0.97638,0.03128,0.96294,0.99747,0.99902,0.99543,0.94746,0.93533,0.99426,0.83987,0.72686,0.31452,0.89586,0.99478
PSM LC+57.021N+0.984VNHKPSNTKVDKK 17 null null null null [MS, MS:1003281, Casanovo, 0.1] 0.9946432411670685 null null 5 377.40289306640625 377.40189080688003 ms_run[1]:0 null null null null 0.99999,0.99977,0.99950,0.99997,0.93791,0.99997,1.00000,1.00000,0.99999,0.99745,0.99997,0.99999,0.99970,0.99577,0.98451,0.99980
PSM QGFTHGSSSSSSSYGGMDDYRDSSSSSSYR 18 null null null null [MS, MS:1003281, Casanovo, 0.1] 0.7401801645755768 null null 5 634.659423828125 634.6592528068801 ms_run[1]:0 null null null null 0.99973,0.96678,0.96881,0.89851,0.13645,0.91631,0.21930,0.95760,0.79096,0.69497,0.62939,0.94909,0.35126,0.95382,0.57183,0.99624,0.79961,0.53239,0.22228,0.73127,0.95536,0.75359,0.87812,0.89091,0.87671,0.92214,0.94474,0.26590,0.48543,0.94589
PSM -17.027QANC+57.021WGYTR 322 null null null null [MS, MS:1003281, Casanovo, 0.1] 0.8814870677888393 null null 2 569.7229614257812 569.7403618168801 ms_run[1]:0 null null null null 1.00000,1.00000,0.99930,0.91362,0.97486,0.11735,0.99734,0.99371,0.82866,0.99004
PSM 1894 null null null null [MS, MS:1003281, Casanovo, 0.1] nan null null 8 1906.1671142578125 3.25859705438 ms_run[1]:0 null null null null ";
const ADANOVO_V1_0_0: &str = r"MTD mzTab-version 1.0.0
MTD mzTab-mode Summary
MTD mzTab-type Identification
MTD description Adanovo identification file xxxxx
MTD software[1] [MS, MS:1003281, Adanovo]
MTD psm_search_engine_score[1] [MS, MS:1001143, search engine specific score for PSMs, ]
MTD fixed_mod[1] [MS, MS:1002453, No fixed modifications searched, ]
MTD variable_mod[1] [UNIMOD, UNIMOD:5, Carbamyl, ]
MTD variable_mod[1]-site N-term
MTD variable_mod[2] [UNIMOD, UNIMOD:1, Acetyl, ]
MTD variable_mod[2]-site N-term
MTD variable_mod[3] [UNIMOD, UNIMOD:385, Ammonia-loss, ]
MTD variable_mod[3]-site N-term
MTD software[1]-setting[1] model = /xxx/xxx/xxx.ckpt
MTD software[1]-setting[2] config_filename = config.yaml
MTD software[1]-setting[3] custom_encoder = None
MTD software[1]-setting[4] dim_feedforward = 1024
MTD software[1]-setting[5] dim_intensity = None
MTD software[1]-setting[6] dim_model = 512
MTD software[1]-setting[7] dropout = 0.0
MTD software[1]-setting[8] every_n_train_steps = 50000
MTD software[1]-setting[9] isotope_error_range = (0, 1)
MTD software[1]-setting[10] learning_rate = 0.0005
MTD software[1]-setting[11] logger = None
MTD software[1]-setting[12] max_charge = 10
MTD software[1]-setting[13] max_epochs = 30
MTD software[1]-setting[14] max_iters = 600000
MTD software[1]-setting[15] max_length = 100
MTD software[1]-setting[16] max_mz = 2500.0
MTD software[1]-setting[17] min_intensity = 0.01
MTD software[1]-setting[18] min_mz = 50.0
MTD software[1]-setting[19] min_peptide_len = 6
MTD software[1]-setting[20] model_save_folder_path = saved_model/
MTD software[1]-setting[21] n_beams = 5
MTD software[1]-setting[22] n_head = 8
MTD software[1]-setting[23] n_layers = 9
MTD software[1]-setting[24] n_log = 1
MTD software[1]-setting[25] n_peaks = 150
MTD software[1]-setting[26] no_gpu = False
MTD software[1]-setting[27] num_sanity_val_steps = 0
MTD software[1]-setting[28] precursor_mass_tol = 50.0
MTD software[1]-setting[29] predict_batch_size = 256
MTD software[1]-setting[30] ptm_types = ['M(+15.99)', 'N(+.98)', 'Q(+.98)']
MTD software[1]-setting[31] random_seed = 454
MTD software[1]-setting[32] remove_precursor_tol = 2.0
MTD software[1]-setting[34] save_model = True
MTD software[1]-setting[35] save_weights_only = True
MTD software[1]-setting[36] tb_summarywriter = None
MTD software[1]-setting[37] top_match = 1
MTD software[1]-setting[38] train_batch_size = 10
MTD software[1]-setting[39] train_from_scratch = True
MTD software[1]-setting[40] warmup_iters = 100000
MTD software[1]-setting[41] weight_decay = 1e-05
MTD software[1]-setting[42] n_workers = 2
MTD ms_run[1]-location file:///xxx/xxx/xxx.mgf
PSH sequence PSM_ID accession unique database database_version search_engine search_engine_score[1] modifications retention_time charge exp_mass_to_charge calc_mass_to_charge spectra_ref pre post start end opt_ms_run[1]_aa_scores
PSM +43.006EIAELK 1 null null null null [MS, MS:1003281, Adanovo] -0.2963899224996567 null null 2.0 399.34885 373.20816131688 ms_run[1]:index=0 null null null null 0.83216,0.45778,0.68741,0.83997,0.57638,0.53333,0.85005
PSM LILEELK 2 null null null null [MS, MS:1003281, Adanovo] -0.5816780831664801 null null 2.0 447.349 429.27076131688 ms_run[1]:index=3 null null null null 0.52025,0.28387,0.42861,0.37298,0.34418,0.29527,0.39227
PSM +43.006-17.027EGEEEK 3 null null null null [MS, MS:1003281, Adanovo] -0.3802630063146353 null null 2.0 399.34814 373.6460908168801 ms_run[1]:index=15 null null null null 0.68596,0.38739,0.59181,0.54725,0.50829,0.64235,0.78498
PSM M(+15.99)KELLEEHEELK 4 null null null null [MS, MS:1003281, Adanovo] -0.5797051099630502 null null 3.0 493.2235 515.26059636688 ms_run[1]:index=18 null null null null 0.51490,0.30857,0.44217,0.51895,0.27416,0.41454,0.54352,0.36491,0.29716,0.41236,0.47040,0.69207
PSM EC(+57.02)GEM(+15.99)EEEHGC(+57.02)EEN(+.98) 5 null null null null [MS, MS:1003281, Adanovo] -0.6582872937122981 null null 3.0 550.219 585.8520093668801 ms_run[1]:index=27 null null null null 0.49829,0.39566,0.52967,0.28216,0.32912,0.24518,0.31027,0.34011,0.28072,0.26802,0.52867,0.20459,0.35894,0.38343
PSM LEC(+57.02)LLELEEN(+.98) 6 null null null null [MS, MS:1003281, Adanovo] -0.55656318298795 null null 2.0 624.2379 631.7946693168801 ms_run[1]:index=30 null null null null 0.51573,0.41917,0.36160,0.27868,0.35848,0.35060,0.32186,0.32625,0.56948,0.65424
PSM GEM(+15.99)PEHEELK 7 null null null null [MS, MS:1003281, Adanovo] -0.47553970427675685 null null 3.0 425.21613 405.51677770021337 ms_run[1]:index=36 null null null null 0.70778,0.40408,0.43566,0.45333,0.43252,0.53933,0.29137,0.63866,0.55337,0.55073
PSM M(+15.99)C(+57.02)EEHAEEK 8 null null null null [MS, MS:1003281, Adanovo] -0.5762234620749951 null null 3.0 385.15396 393.4866017002134 ms_run[1]:index=39 null null null null 0.54125,0.46095,0.36502,0.48258,0.27165,0.55069,0.50422,0.26128,0.58824
PSM ELLEELK 9 null null null null [MS, MS:1003281, Adanovo] -0.5218491964042187 null null 2.0 436.88058 437.25002581688005 ms_run[1]:index=48 null null null null 0.51701,0.30945,0.49610,0.43260,0.37924,0.30729,0.64444
PSM EC(+57.02)LLEEHHEC(+57.02)EEN(+.98) 10 null null null null [MS, MS:1003281, Adanovo] -0.6649651303887367 null null 2.0 832.2426 864.8274353168799 ms_run[1]:index=54 null null null null 0.36661,0.38333,0.36993,0.26764,0.25566,0.27456,0.36962,0.44051,0.26455,0.31490,0.31663,0.41728,0.48174
PSM AELHEGLEALC(+57.02)EEEN(+.98) 11 null null null null [MS, MS:1003281, Adanovo] -0.5483541814610362 null null 2.0 889.2353 872.3725323168801 ms_run[1]:index=60 null null null null 0.32779,0.58044,0.53655,0.42949,0.38431,0.41258,0.71052,0.35212,0.32182,0.34612,0.41631,0.46138,0.29118,0.50282,0.42709
PSM Q(+.98)KHC(+57.02)AEEQHHENK 12 null null null null [MS, MS:1003281, Adanovo] -0.5978434490306037 null null 2.0 817.2119 838.3657108168799 ms_run[1]:index=63 null null null null 0.51435,0.27801,0.44365,0.33759,0.29989,0.33715,0.65056,0.30266,0.45010,0.63911,0.44400,0.34859,0.38346
PSM EC(+57.02)HLHEPC(+57.02)EEELK 13 null null null null [MS, MS:1003281, Adanovo] -0.6599697108779634 null null 2.0 833.24475 855.36653081688 ms_run[1]:index=66 null null null null 0.41598,0.23812,0.38860,0.44787,0.24051,0.24706,0.28328,0.51895,0.38747,0.34838,0.25759,0.50223,0.31436
PSM +43.006-17.027EGEEEK 14 null null null null [MS, MS:1003281, Adanovo] -0.37315315939486027 null null 2.0 399.34802 373.6460908168801 ms_run[1]:index=69 null null null null 0.73597,0.42511,0.62338,0.53309,0.57620,0.49863,0.80898
PSM IEALM(+15.99)LELC(+57.02)EN(+.98) 15 null null null null [MS, MS:1003281, Adanovo] -0.5414385503778856 null null 2.0 681.2308 676.30962981688 ms_run[1]:index=72 null null null null 0.47088,0.42874,0.28525,0.35193,0.41603,0.52875,0.26840,0.65748,0.29204,0.63688,0.43707
PSM IIAEEIIEELK 16 null null null null [MS, MS:1003281, Adanovo] -0.35488584637641907 null null 3.0 443.60464 433.9183877002133 ms_run[1]:index=75 null null null null 0.63906,0.47484,0.56343,0.60255,0.74678,0.36096,0.69273,0.67348,0.60226,0.81058,0.75215
PSM EEIEELN(+.98) 17 null null null null [MS, MS:1003281, Adanovo] -0.553612669929862 null null 2.0 440.312 438.69528031688003 ms_run[1]:index=78 null null null null 0.42456,0.27533,0.43876,0.38189,0.31244,0.39558,0.61934
PSM LLLEELN(+.98) 18 null null null null [MS, MS:1003281, Adanovo] -0.540082280524075 null null 2.0 458.6689 422.73675131688 ms_run[1]:index=84 null null null null 0.50545,0.28324,0.47001,0.35971,0.38526,0.33875,0.60697";
const CASANOVO_V5_0_0: &str = r"MTD mzTab-version 1.0.0
MTD mzTab-mode Summary
MTD mzTab-type Identification
MTD description Casanovo identification file casanovo_20250723104338
MTD software[1] [MS, MS:1003281, Casanovo, 5.0.0]
MTD psm_search_engine_score[1] [MS, MS:1001143, search engine specific score for PSMs, ]
MTD fixed_mod[1] [MS, MS:1002453, No fixed modifications searched, ]
MTD variable_mod[1] [MS, MS:1002454, No variable modifications searched,]
MTD software[1]-setting[1] model = /xxx/xxx/casanovo_v5_0_0.ckpt
MTD software[1]-setting[2] config_filename = tools/casanovo/casanovo.yaml
MTD software[1]-setting[3] precursor_mass_tol = 50.0
MTD software[1]-setting[4] isotope_error_range = (0, 1)
MTD software[1]-setting[5] min_peptide_len = 6
MTD software[1]-setting[6] max_peptide_len = 100
MTD software[1]-setting[7] predict_batch_size = 1024
MTD software[1]-setting[8] top_match = 1
MTD software[1]-setting[9] accelerator = auto
MTD software[1]-setting[10] devices = None
MTD software[1]-setting[11] n_beams = 1
MTD software[1]-setting[12] enzyme = trypsin
MTD software[1]-setting[13] digestion = full
MTD software[1]-setting[14] missed_cleavages = 0
MTD software[1]-setting[15] max_mods = 1
MTD software[1]-setting[16] allowed_fixed_mods = C:C[Carbamidomethyl]
MTD software[1]-setting[17] allowed_var_mods = M:M[Oxidation],N:N[Deamidated],Q:Q[Deamidated],nterm:[Acetyl]-,nterm:[Carbamyl]-,nterm:[Ammonia-loss]-,nterm:[+25.980265]-
MTD software[1]-setting[18] random_seed = 454
MTD software[1]-setting[19] n_log = 1
MTD software[1]-setting[20] tb_summarywriter = False
MTD software[1]-setting[21] log_metrics = False
MTD software[1]-setting[22] log_every_n_steps = 50
MTD software[1]-setting[23] lance_dir = None
MTD software[1]-setting[24] val_check_interval = 50000
MTD software[1]-setting[25] min_peaks = 20
MTD software[1]-setting[26] max_peaks = 150
MTD software[1]-setting[27] min_mz = 50.0
MTD software[1]-setting[28] max_mz = 2500.0
MTD software[1]-setting[29] min_intensity = 0.01
MTD software[1]-setting[30] remove_precursor_tol = 2.0
MTD software[1]-setting[31] max_charge = 4
MTD software[1]-setting[32] dim_model = 512
MTD software[1]-setting[33] n_head = 8
MTD software[1]-setting[34] dim_feedforward = 1024
MTD software[1]-setting[35] n_layers = 9
MTD software[1]-setting[36] dropout = 0.0
MTD software[1]-setting[37] dim_intensity = None
MTD software[1]-setting[38] warmup_iters = 100000
MTD software[1]-setting[39] cosine_schedule_period_iters = 600000
MTD software[1]-setting[40] learning_rate = 0.0005
MTD software[1]-setting[41] weight_decay = 1e-05
MTD software[1]-setting[42] train_label_smoothing = 0.01
MTD software[1]-setting[43] train_batch_size = 32
MTD software[1]-setting[44] max_epochs = 30
MTD software[1]-setting[45] shuffle = True
MTD software[1]-setting[46] shuffle_buffer_size = 10000
MTD software[1]-setting[47] num_sanity_val_steps = 0
MTD software[1]-setting[48] calculate_precision = False
MTD software[1]-setting[49] accumulate_grad_batches = 1
MTD software[1]-setting[50] gradient_clip_val = None
MTD software[1]-setting[51] gradient_clip_algorithm = None
MTD software[1]-setting[52] precision = 32-true
MTD software[1]-setting[53] replace_isoleucine_with_leucine = True
MTD software[1]-setting[54] reverse_peptides = True
MTD software[1]-setting[55] massivekb_tokenizer = False
MTD software[1]-setting[57] n_workers = 0
MTD ms_run[1]-location file:///xxx/xxx/xxx.mzML
PSH sequence PSM_ID accession unique database database_version search_engine search_engine_score[1] modifications retention_time charge exp_mass_to_charge calc_mass_to_charge spectra_ref pre post start end opt_ms_run[1]_aa_scores
PSM SGGPSPAPK 1 null null null null [MS, MS:1003281, Casanovo, 5.0.0] -0.9999869598877922 null null 2 399.3488464355469 399.2112121582031 ms_run[1]:controllerType=0 controllerNumber=1 scan=39 null null null null 0.59635,0.17797,0.26100,0.28299,0.16142,0.24069,0.17276,0.28309,0.89282
PSM SSADDLGTTLLSLLELLK 2 null null null null [MS, MS:1003281, Casanovo, 5.0.0] -0.9999999999841948 null null 2 947.7150268554688 945.0274658203125 ms_run[1]:controllerType=0 controllerNumber=1 scan=41 null null null null 0.95906,0.20093,0.26486,0.14145,0.15215,0.32760,0.98329,0.37676,0.16901,0.28346,0.19773,0.12583,0.22744,0.17255,0.12429,0.18880,0.18548,0.58843
PSM SGGGGGGAQGC[Carbamidomethyl] 3 null null null null [MS, MS:1003281, Casanovo, 5.0.0] -0.9999999035787468 null null 2 431.070556640625 432.6668701171875 ms_run[1]:controllerType=0 controllerNumber=1 scan=43 null null null null 0.43408,0.18529,0.50310,0.38556,0.19749,0.15053,0.13425,0.18722,0.14423,0.11608,0.50839
PSM [Acetyl]-SGGGPGPPSK 4 null null null null [MS, MS:1003281, Casanovo, 5.0.0] -0.9999999125602201 null null 2 447.3489990234375 441.7194519042969 ms_run[1]:controllerType=0 controllerNumber=1 scan=57 null null null null 0.12465,0.37304,0.18067,0.18829,0.13063,0.11356,0.19623,0.28369,0.15539,0.43557
PSM GREEEEEEEEK 5 null null null null [MS, MS:1003281, Casanovo, 5.0.0] -0.999999792534723 null null 2 698.2583618164062 696.7916870117188 ms_run[1]:controllerType=0 controllerNumber=1 scan=71 null null null null 0.94687,0.18794,0.19554,0.25920,0.24985,0.21264,0.24714,0.20307,0.16511,0.11890,0.44372
PSM ELQQLQDLLDHLSLLEELLK 6 null null null null [MS, MS:1003281, Casanovo, 5.0.0] -0.9999999999999996 null null 3 796.1614990234375 797.4440307617188 ms_run[1]:controllerType=0 controllerNumber=1 scan=76 null null null null 0.37597,0.18036,0.22118,0.14772,0.33255,0.11386,0.15835,0.11590,0.16347,0.16560,0.13278,0.10783,0.11522,0.11478,0.22519,0.17355,0.12017,0.14290,0.14726,0.55911
PSM QREEEEEEEEEEEEEEEEC[Carbamidomethyl]EEEEEEK 7 null null null null [MS, MS:1003281, Casanovo, 5.0.0] -1.0 null null 3 1134.7386474609375 1144.084716796875 ms_run[1]:controllerType=0 controllerNumber=1 scan=93 null null null null 0.42816,0.29301,0.44453,0.42439,0.42128,0.47140,0.49095,0.37821,0.43009,0.47720,0.53581,0.59175,0.50879,0.52956,0.51420,0.49362,0.45852,0.41592,0.89670,0.47379,0.45582,0.41898,0.29801,0.21821,0.14634,0.53600
PSM EELLLTDK 8 null null null null [MS, MS:1003281, Casanovo, 5.0.0] -0.9999776791974 null null 2 477.67254638671875 480.7659912109375 ms_run[1]:controllerType=0 controllerNumber=1 scan=121 null null null null 0.68129,0.22155,0.16130,0.23245,0.12874,0.22102,0.16000,0.87475
PSM [Acetyl]-PVC[Carbamidomethyl]PPC[Carbamidomethyl]KPGR 9 null null null null [MS, MS:1003281, Casanovo, 5.0.0] -0.9999960979780553 null null 3 403.23388671875 403.8670959472656 ms_run[1]:controllerType=0 controllerNumber=1 scan=124 null null null null 0.32107,0.20157,0.23797,0.19274,0.14355,0.14808,0.12452,0.99077,0.60460,0.83802
PSM RKEEEEEEEEEK 10 null null null null [MS, MS:1003281, Casanovo, 5.0.0] -0.999999965789165 null null 3 533.231689453125 531.5689697265625 ms_run[1]:controllerType=0 controllerNumber=1 scan=133 null null null null 0.42140,0.23724,0.20555,0.18209,0.17230,0.23419,0.20076,0.25033,0.24932,0.18428,0.13669,0.72612
PSM EAEEEEEEEEEEK 11 null null null null [MS, MS:1003281, Casanovo, 5.0.0] -0.999999973356017 null null 2 816.2198486328125 819.3128662109375 ms_run[1]:controllerType=0 controllerNumber=1 scan=136 null null null null 0.53804,0.27110,0.17375,0.25910,0.30957,0.31708,0.34377,0.23683,0.16821,0.19609,0.15732,0.14136,0.69879
PSM YSSSSSSSSPR 12 null null null null [MS, MS:1003281, Casanovo, 5.0.0] -0.9999989114149912 null null 2 564.2694091796875 566.249267578125 ms_run[1]:controllerType=0 controllerNumber=1 scan=167 null null null null 0.70171,0.39680,0.36430,0.29555,0.26779,0.23523,0.16844,0.15733,0.13232,0.25895,0.64322
PSM GGGGGGGGGGGGGGRPK 13 null null null null [MS, MS:1003281, Casanovo, 5.0.0] -0.99999582925102 null null 3 403.234130859375 400.19390869140625 ms_run[1]:controllerType=0 controllerNumber=1 scan=189 null null null null 0.70776,0.90406,0.66273,0.70408,0.60963,0.57250,0.61084,0.54742,0.71790,0.58811,0.33165,0.22987,0.15773,0.37848,0.27678,0.30472,0.77672
PSM QLALPELLVVPK 14 null null null null [MS, MS:1003281, Casanovo, 5.0.0] -0.9999998875609393 null null 3 436.8807678222656 440.6147766113281 ms_run[1]:controllerType=0 controllerNumber=1 scan=199 null null null null 0.25857,0.25635,0.17196,0.14393,0.14372,0.11155,0.21468,0.49196,0.60372,0.39271,0.88576,0.24837
PSM [Carbamyl]-LLLLGC[Carbamidomethyl]C[Carbamidomethyl] 15 null null null null [MS, MS:1003281, Casanovo, 5.0.0] -0.999996308992877 null null 2 447.34796142578125 446.22491455078125 ms_run[1]:controllerType=0 controllerNumber=1 scan=211 null null null null 0.08312,0.28042,0.14681,0.15335,0.10145,0.19651,0.36025
PSM HSSSSSDLLSLLSSLLK 16 null null null null [MS, MS:1003281, Casanovo, 5.0.0] -0.999999999998855 null null 2 889.7164916992188 887.4832763671875 ms_run[1]:controllerType=0 controllerNumber=1 scan=218 null null null null 0.37070,0.31160,0.43732,0.19794,0.15554,0.12848,0.15495,0.25291,0.12090,0.13440,0.18279,0.18696,0.12612,0.13222,0.14979,0.14120,0.75500
PSM LLESDPTVLLLK 17 null null null null [MS, MS:1003281, Casanovo, 5.0.0] -0.9999988653800074 null null 2 670.760986328125 670.9053955078125 ms_run[1]:controllerType=0 controllerNumber=1 scan=223 null null null null 0.46280,0.68932,0.21247,0.15397,0.19618,0.93220,0.50761,0.17408,0.16067,0.24310,0.22443,0.77678
PSM [Carbamyl]-LDHLLSLPAVLHVLLLLDK 18 null null null null [MS, MS:1003281, Casanovo, 5.0.0] -0.9999999999419968 null null 3 724.8385620117188 722.4400634765625 ms_run[1]:controllerType=0 controllerNumber=1 scan=230 null null null null 0.17772,0.14757,0.11918,0.11774,0.14809,0.11861,0.15790,0.91458,0.49815,0.20627,0.45583,0.88731,0.43012,0.28093,0.14334,0.30903,0.34283,0.90772,0.90688
PSM LVKKEEEEEEEEK 19 null null null null [MS, MS:1003281, Casanovo, 5.0.0] -0.9999999859338207 null null 3 550.218994140625 549.9368286132812 ms_run[1]:controllerType=0 controllerNumber=1 scan=237 null null null null 0.38000,0.14566,0.14159,0.28125,0.17474,0.25389,0.30832,0.24456,0.28999,0.29194,0.20304,0.14885,0.75356
PSM DGEEKEEEEEK 20 null null null null [MS, MS:1003281, Casanovo, 5.0.0] -0.9999999022972759 null null 3 452.8717346191406 450.8562927246094 ms_run[1]:controllerType=0 controllerNumber=1 scan=243 null null null null 0.30078,0.39739,0.20755,0.26912,0.20245,0.19053,0.17851,0.18757,0.12231,0.16744,0.55907
PSM RPPPKDGKPGR 21 null null null null [MS, MS:1003281, Casanovo, 5.0.0] -0.9999979442670792 null null 3 403.23388671875 402.2351379394531 ms_run[1]:controllerType=0 controllerNumber=1 scan=252 null null null null 0.36335,0.16339,0.19885,0.18242,0.17953,0.23461,0.20263,0.19672,0.98039,0.63766,0.92293
PSM THPQAC[Carbamidomethyl]EDC[Carbamidomethyl]K 22 null null null null [MS, MS:1003281, Casanovo, 5.0.0] -0.99999920466189 null null 2 624.2379150390625 623.2529296875 ms_run[1]:controllerType=0 controllerNumber=1 scan=261 null null null null 0.85208,0.58106,0.21625,0.12921,0.15738,0.22049,0.13635,0.13987,0.20460,0.42968
PSM C[Carbamidomethyl]SGDGSDSGEK 105 null null null null [MS, MS:1003281, Casanovo, 5.0.0] 8.3084814e-08 null null 2 550.2191162109375 549.7039184570312 ms_run[1]:controllerType=0 controllerNumber=1 scan=961 null null null null 0.29728,0.23932,0.25024,0.13913,0.13902,0.14046,0.14880,0.92255,0.19775,0.16074,0.39822
PSM YSDLDSLLLLLK 106 null null null null [MS, MS:1003281, Casanovo, 5.0.0] -0.9999999918367761 null null 2 698.2569580078125 696.90283203125 ms_run[1]:controllerType=0 controllerNumber=1 scan=965 null null null null 0.48096,0.17210,0.20898,0.40733,0.19388,0.12002,0.14344,0.12227,0.23196,0.16243,0.12438,0.61359
PSM SLHHLLK 107 null null null null [MS, MS:1003281, Casanovo, 5.0.0] -0.9994409156497568 null null 2 427.3794250488281 424.2610168457031 ms_run[1]:controllerType=0 controllerNumber=1 scan=977 null null null null 0.98516,0.31854,0.27340,0.18984,0.18670,0.20127,0.92429
PSM MDHSDDSEEEK 108 null null null null [MS, MS:1003281, Casanovo, 5.0.0] -0.9999972032703681 null null 3 443.14166259765625 441.1664733886719 ms_run[1]:controllerType=0 controllerNumber=1 scan=992 null null null null 0.45444,0.17720,0.28335,0.50172,0.21497,0.30580,0.27995,0.35337,0.25716,0.18569,0.79452
PSM [Acetyl]-KDEEEEEESK 109 null null null null [MS, MS:1003281, Casanovo, 5.0.0] -0.9999998392910783 null null 3 432.14508056640625 431.8491516113281 ms_run[1]:controllerType=0 controllerNumber=1 scan=1001 null null null null 0.35470,0.11210,0.15587,0.18438,0.13478,0.18759,0.21998,0.16386,0.25294,0.61651
PSM QMDSSEHAPK 110 null null null null [MS, MS:1003281, Casanovo, 5.0.0] -0.9999978059015575 null null 3 375.8613586425781 377.16961669921875 ms_run[1]:controllerType=0 controllerNumber=1 scan=1011 null null null null 0.45197,0.20620,0.21453,0.19088,0.12442,0.21058,0.40916,0.47804,0.20306,0.55902
PSM AYEREK 111 null null null null [MS, MS:1003281, Casanovo, 5.0.0] -0.9997789439366898 null null 2 393.37103271484375 398.2033996582031 ms_run[1]:controllerType=0 controllerNumber=1 scan=1013 null null null null 0.65827,0.13301,0.30683,0.16845,0.12657,0.39030
PSM [Acetyl]-M[Oxidation]GGGFGPSK 112 null null null null [MS, MS:1003281, Casanovo, 5.0.0] -0.9999985530319009 null null 2 447.3476867675781 448.20257568359375 ms_run[1]:controllerType=0 controllerNumber=1 scan=1018 null null null null 0.27612,0.50077,0.15311,0.14289,0.13286,0.23124,0.20015,0.23232,0.33811
PSM DGTEEKEEEEKPPSK 113 null null null null [MS, MS:1003281, Casanovo, 5.0.0] -0.9999999968911 null null 4 432.83270263671875 433.70343017578125 ms_run[1]:controllerType=0 controllerNumber=1 scan=1027 null null null null 0.44574,0.65134,0.16856,0.44685,0.19783,0.26091,0.24327,0.14781,0.28356,0.20402,0.12936,0.39384,0.12469,0.30708,0.68663
PSM VYALKELLEK 114 null null null null [MS, MS:1003281, Casanovo, 5.0.0] -0.9999976380302087 null null 3 401.8896484375 402.5762023925781 ms_run[1]:controllerType=0 controllerNumber=1 scan=1048 null null null null 0.97604,0.71053,0.15695,0.23433,0.16231,0.12265,0.17230,0.20047,0.14372,0.94734
PSM [Acetyl]-GEEQEEKPGR 115 null null null null [MS, MS:1003281, Casanovo, 5.0.0] -0.9997432127129287 null null 3 403.2336120605469 400.85455322265625 ms_run[1]:controllerType=0 controllerNumber=1 scan=1051 null null null null 0.27362,0.47380,0.44399,0.29237,0.48777,0.22731,0.33616,0.99230,0.73173,0.56972
PSM DPEEEEEAAGHH 116 null null null null [MS, MS:1003281, Casanovo, 5.0.0] -0.9999999679288862 null null 3 450.55694580078125 450.51287841796875 ms_run[1]:controllerType=0 controllerNumber=1 scan=1053 null null null null 0.78524,0.34287,0.15011,0.19529,0.22735,0.19947,0.18097,0.15955,0.23406,0.30160,0.17878,0.24851
PSM [Acetyl]-GGGGGGGPC[Carbamidomethyl]C[Carbamidomethyl] 117 null null null null [MS, MS:1003281, Casanovo, 5.0.0] -0.9999997721433118 null null 2 447.3478088378906 439.1500549316406 ms_run[1]:controllerType=0 controllerNumber=1 scan=1071 null null null null 0.12611,0.42845,0.37714,0.16173,0.15369,0.13036,0.23697,0.11213,0.32371,0.40910";
const MAXQUANT_DIA_PAPER: &str = r"MTD mzTab-version 1.0.0
MTD mzTab-mode Complete
MTD mzTab-type Identification
MTD title null
MTD description null
MTD software[1] [MS, MS:1001583, MaxQuant,1.6.17.0]
COM [, CHEMMOD:57.0214637236, Carbamidomethyl (C),]
MTD fixed_mod[1] [, , CHEMMOD:57.0214637236,]
MTD fixed_mod[1]-site C
MTD fixed_mod[1]-position Anywhere
COM [, CHEMMOD:15.9949146221, Oxidation (M),]
MTD variable_mod[1] [, , CHEMMOD:15.9949146221,]
MTD variable_mod[1]-site M
MTD variable_mod[1]-position Anywhere
COM [, CHEMMOD:42.0105646863, Acetyl (Protein N-term),]
MTD variable_mod[2] [, , CHEMMOD:42.0105646863,]
MTD variable_mod[2]-site N-term
MTD variable_mod[2]-position Protein N-term
MTD protein_search_engine_score[1] [MS, MS:1003097, MaxQuant protein group-level score, ]
MTD peptide_search_engine_score[1] [MS, MS:1003099, MaxQuant-DIA peptide PEP, ]
MTD psm_search_engine_score[1] [MS, MS:1003100, MaxQuant-DIA score, ]
MTD psm_search_engine_score[2] [MS, MS:1003101, MaxQuant-DIA PEP, ]
MTD ms_run[1]-format [MS, MS:1000563, Thermo RAW format, ]
MTD ms_run[1]-location file://D:/pavel/BoxCar/data002/dia/BOXCAR_SWATH_SingleShot/discovery/20201006_LU1_DaIt_Aurora5_HEK1_BOXCAR_SWATH_2ul.raw
MTD ms_run[1]-id_format [MS, MS:1000768, Thermo nativeID format, ]
MTD ms_run[2]-format [MS, MS:1000563, Thermo RAW format, ]
MTD ms_run[2]-location file://D:/pavel/BoxCar/data002/dia/BOXCAR_SWATH_SingleShot/discovery/20201006_LU1_DaIt_Aurora5_HEK2_BOXCAR_SWATH_2ul.raw
MTD ms_run[2]-id_format [MS, MS:1000768, Thermo nativeID format, ]
MTD ms_run[3]-format [MS, MS:1000563, Thermo RAW format, ]
MTD ms_run[3]-location file://D:/pavel/BoxCar/data002/dia/BOXCAR_SWATH_SingleShot/discovery/20201006_LU1_DaIt_Aurora5_HEK3_BOXCAR_SWATH_2ul.raw
MTD ms_run[3]-id_format [MS, MS:1000768, Thermo nativeID format, ]
PRH accession description taxid species database database_version search_engine best_search_engine_score[1] search_engine_score[1]_ms_run[1] search_engine_score[1]_ms_run[2] search_engine_score[1]_ms_run[3] num_psms_ms_run[1] num_psms_ms_run[2] num_psms_ms_run[3] num_peptides_distinct_ms_run[1] num_peptides_distinct_ms_run[2] num_peptides_distinct_ms_run[3] num_peptides_unique_ms_run[1] num_peptides_unique_ms_run[2] num_peptides_unique_ms_run[3] ambiguity_members modifications protein_coverage
PRT P35659 sp|P35659|DEK_HUMAN Protein DEK OS=Homo sapiens OX=9606 GN=DEK PE=1 SV=1 9606 null D:\pavel\BoxCar\lib\discovery\homo_sapiens\UP000005640_9606.fasta;D:\pavel\BoxCar\lib\discovery\homo_sapiens\UP000005640_9606_additional.fasta; null [MS, MS:1001583, MaxQuant, 1.6.17.0] 29.3611967685567 null null null null null null null null null null null null P35659, H0Y993, P35659-2, B4DFG0, H0Y8X0, A0A494C198, D6R9L5, A0A494C028, D6RDA2 null 0.331
PRT P62753 sp|P62753|RS6_HUMAN 40S ribosomal protein S6 OS=Homo sapiens OX=9606 GN=RPS6 PE=1 SV=1 9606 null D:\pavel\BoxCar\lib\discovery\homo_sapiens\UP000005640_9606.fasta;D:\pavel\BoxCar\lib\discovery\homo_sapiens\UP000005640_9606_additional.fasta; null [MS, MS:1001583, MaxQuant, 1.6.17.0] 25.16290611884 null null null null null null null null null null null null P62753, A2A3R5, A2A3R7 null 0.337
PRT P31942 sp|P31942|HNRH3_HUMAN Heterogeneous nuclear ribonucleoprotein H3 OS=Homo sapiens OX=9606 GN=HNRNPH3 PE=1 SV=2 9606 null D:\pavel\BoxCar\lib\discovery\homo_sapiens\UP000005640_9606.fasta;D:\pavel\BoxCar\lib\discovery\homo_sapiens\UP000005640_9606_additional.fasta; null [MS, MS:1001583, MaxQuant, 1.6.17.0] 26.1065160791291 null null null null null null null null null null null null P31942, P31942-2, P31942-3, P31942-4, P31942-6, P31942-5 null 0.532
PRT P20618 sp|P20618|PSB1_HUMAN Proteasome subunit beta type-1 OS=Homo sapiens OX=9606 GN=PSMB1 PE=1 SV=2 9606 null D:\pavel\BoxCar\lib\discovery\homo_sapiens\UP000005640_9606.fasta;D:\pavel\BoxCar\lib\discovery\homo_sapiens\UP000005640_9606_additional.fasta; null [MS, MS:1001583, MaxQuant, 1.6.17.0] 25.5392591259052 null null null null null null null null null null null null P20618 null 0.585
PRT P31943 sp|P31943|HNRH1_HUMAN Heterogeneous nuclear ribonucleoprotein H OS=Homo sapiens OX=9606 GN=HNRNPH1 PE=1 SV=4 9606 null D:\pavel\BoxCar\lib\discovery\homo_sapiens\UP000005640_9606.fasta;D:\pavel\BoxCar\lib\discovery\homo_sapiens\UP000005640_9606_additional.fasta; null [MS, MS:1001583, MaxQuant, 1.6.17.0] 42.188377297835 null null null null null null null null null null null null P31943, P52597, P55795, G8JLB6, E9PCY7, H0YB39, D6RBM0, D6RIU0, D6RDU3, H0YBD7, D6RAM1, D6RIH9, E5RGV0, D6R9T0, D6RFM3, D6RJ04, E7EN40, E7EQJ0, H0YBG7, E5RGH4, D6RDL0, H0YAQ2, D6RF17, D6R9D3, E5RJ94 null 0.535
PRT O75131 sp|O75131|CPNE3_HUMAN Copine-3 OS=Homo sapiens OX=9606 GN=CPNE3 PE=1 SV=1 9606 null D:\pavel\BoxCar\lib\discovery\homo_sapiens\UP000005640_9606.fasta;D:\pavel\BoxCar\lib\discovery\homo_sapiens\UP000005640_9606_additional.fasta; null [MS, MS:1001583, MaxQuant, 1.6.17.0] 44.5768923933494 null null null null null null null null null null null null O75131, A0A087WYQ3, H0YB26, E5RHZ0, A0A087WXR6, A0A087WUS8, E5RFT7, Q96A23, Q9UBL6, O95741, Q9UBL6-2, Q96A23-2, O95741-2 null 0.376
PRT O60749 sp|O60749|SNX2_HUMAN Sorting nexin-2 OS=Homo sapiens OX=9606 GN=SNX2 PE=1 SV=2 9606 null D:\pavel\BoxCar\lib\discovery\homo_sapiens\UP000005640_9606.fasta;D:\pavel\BoxCar\lib\discovery\homo_sapiens\UP000005640_9606_additional.fasta; null [MS, MS:1001583, MaxQuant, 1.6.17.0] 42.0437153738841 null null null null null null null null null null null null O60749, O60749-2, D6RC15 null 0.393
PSH sequence PSM_ID accession unique database database_version search_engine search_engine_score[1] search_engine_score[2] modifications retention_time charge exp_mass_to_charge calc_mass_to_charge spectra_ref pre post start end opt_global_cv_MS:1002751_NIST_MSP_format opt_global_cv_MS:1003102_NIST_msp_comment
PSM ILNFLMHPK 1 A0A494C028 0 D:\pavel\BoxCar\lib\discovery\homo_sapiens\UP000005640_9606.fasta;D:\pavel\BoxCar\lib\discovery\homo_sapiens\UP000005640_9606_additional.fasta; null [MS, MS:1003100, MaxQuant-DIA:score, 1.6.17.0] 8 0.0007259438 null 61.86906 3 371.5474 371.5477 ms_run[1]:scan=1197 R P 184 192 20201006_LU1_DaIt_Aurora5_HEK1_BOXCAR_SWATH_2ul_msp.msp reference num 1
PSM ILNFLMHPK 1 B4DFG0 0 D:\pavel\BoxCar\lib\discovery\homo_sapiens\UP000005640_9606.fasta;D:\pavel\BoxCar\lib\discovery\homo_sapiens\UP000005640_9606_additional.fasta; null [MS, MS:1003100, MaxQuant-DIA:score, 1.6.17.0] 8 0.0007259438 null 61.86906 3 371.5474 371.5477 ms_run[1]:scan=1197 R P 151 159 20201006_LU1_DaIt_Aurora5_HEK1_BOXCAR_SWATH_2ul_msp.msp reference num 1
PSM ILNFLMHPK 1 D6RDA2 0 D:\pavel\BoxCar\lib\discovery\homo_sapiens\UP000005640_9606.fasta;D:\pavel\BoxCar\lib\discovery\homo_sapiens\UP000005640_9606_additional.fasta; null [MS, MS:1003100, MaxQuant-DIA:score, 1.6.17.0] 8 0.0007259438 null 61.86906 3 371.5474 371.5477 ms_run[1]:scan=1197 R P 112 120 20201006_LU1_DaIt_Aurora5_HEK1_BOXCAR_SWATH_2ul_msp.msp reference num 1
PSM ILNFLMHPK 1 H0Y8X0 0 D:\pavel\BoxCar\lib\discovery\homo_sapiens\UP000005640_9606.fasta;D:\pavel\BoxCar\lib\discovery\homo_sapiens\UP000005640_9606_additional.fasta; null [MS, MS:1003100, MaxQuant-DIA:score, 1.6.17.0] 8 0.0007259438 null 61.86906 3 371.5474 371.5477 ms_run[1]:scan=1197 R P 179 187 20201006_LU1_DaIt_Aurora5_HEK1_BOXCAR_SWATH_2ul_msp.msp reference num 1
PSM ILNFLMHPK 1 H0Y993 0 D:\pavel\BoxCar\lib\discovery\homo_sapiens\UP000005640_9606.fasta;D:\pavel\BoxCar\lib\discovery\homo_sapiens\UP000005640_9606_additional.fasta; null [MS, MS:1003100, MaxQuant-DIA:score, 1.6.17.0] 8 0.0007259438 null 61.86906 3 371.5474 371.5477 ms_run[1]:scan=1197 R P 179 187 20201006_LU1_DaIt_Aurora5_HEK1_BOXCAR_SWATH_2ul_msp.msp reference num 1
PSM ILNFLMHPK 1 P35659 0 D:\pavel\BoxCar\lib\discovery\homo_sapiens\UP000005640_9606.fasta;D:\pavel\BoxCar\lib\discovery\homo_sapiens\UP000005640_9606_additional.fasta; null [MS, MS:1003100, MaxQuant-DIA:score, 1.6.17.0] 8 0.0007259438 null 61.86906 3 371.5474 371.5477 ms_run[1]:scan=1197 R P 179 187 20201006_LU1_DaIt_Aurora5_HEK1_BOXCAR_SWATH_2ul_msp.msp reference num 1
PSM ILNFLMHPK 1 P35659-2 0 D:\pavel\BoxCar\lib\discovery\homo_sapiens\UP000005640_9606.fasta;D:\pavel\BoxCar\lib\discovery\homo_sapiens\UP000005640_9606_additional.fasta; null [MS, MS:1003100, MaxQuant-DIA:score, 1.6.17.0] 8 0.0007259438 null 61.86906 3 371.5474 371.5477 ms_run[1]:scan=1197 R P 145 153 20201006_LU1_DaIt_Aurora5_HEK1_BOXCAR_SWATH_2ul_msp.msp reference num 1
PSM LIEVDDERK 2 A2A3R7 0 D:\pavel\BoxCar\lib\discovery\homo_sapiens\UP000005640_9606.fasta;D:\pavel\BoxCar\lib\discovery\homo_sapiens\UP000005640_9606_additional.fasta; null [MS, MS:1003100, MaxQuant-DIA:score, 1.6.17.0] 8 0.0007652104 null 21.17544 3 372.8678 372.868 ms_run[1]:scan=389 K L 15 23 20201006_LU1_DaIt_Aurora5_HEK1_BOXCAR_SWATH_2ul_msp.msp reference num 2
PSM LIEVDDERK 2 P62753 0 D:\pavel\BoxCar\lib\discovery\homo_sapiens\UP000005640_9606.fasta;D:\pavel\BoxCar\lib\discovery\homo_sapiens\UP000005640_9606_additional.fasta; null [MS, MS:1003100, MaxQuant-DIA:score, 1.6.17.0] 8 0.0007652104 null 21.17544 3 372.8678 372.868 ms_run[1]:scan=389 K L 15 23 20201006_LU1_DaIt_Aurora5_HEK1_BOXCAR_SWATH_2ul_msp.msp reference num 2
PSM VHIDIGADGR 3 P31942 0 D:\pavel\BoxCar\lib\discovery\homo_sapiens\UP000005640_9606.fasta;D:\pavel\BoxCar\lib\discovery\homo_sapiens\UP000005640_9606_additional.fasta; null [MS, MS:1003100, MaxQuant-DIA:score, 1.6.17.0] 8 0.0007433967 null 31.63646 3 351.5213 351.521 ms_run[1]:scan=596 R A 223 232 20201006_LU1_DaIt_Aurora5_HEK1_BOXCAR_SWATH_2ul_msp.msp reference num 3
PSM VHIDIGADGR 3 P31942-2 0 D:\pavel\BoxCar\lib\discovery\homo_sapiens\UP000005640_9606.fasta;D:\pavel\BoxCar\lib\discovery\homo_sapiens\UP000005640_9606_additional.fasta; null [MS, MS:1003100, MaxQuant-DIA:score, 1.6.17.0] 8 0.0007433967 null 31.63646 3 351.5213 351.521 ms_run[1]:scan=596 R A 208 217 20201006_LU1_DaIt_Aurora5_HEK1_BOXCAR_SWATH_2ul_msp.msp reference num 3
PSM VHIDIGADGR 3 P31942-3 0 D:\pavel\BoxCar\lib\discovery\homo_sapiens\UP000005640_9606.fasta;D:\pavel\BoxCar\lib\discovery\homo_sapiens\UP000005640_9606_additional.fasta; null [MS, MS:1003100, MaxQuant-DIA:score, 1.6.17.0] 8 0.0007433967 null 31.63646 3 351.5213 351.521 ms_run[1]:scan=596 R A 174 183 20201006_LU1_DaIt_Aurora5_HEK1_BOXCAR_SWATH_2ul_msp.msp reference num 3
PSM VHIDIGADGR 3 P31942-4 0 D:\pavel\BoxCar\lib\discovery\homo_sapiens\UP000005640_9606.fasta;D:\pavel\BoxCar\lib\discovery\homo_sapiens\UP000005640_9606_additional.fasta; null [MS, MS:1003100, MaxQuant-DIA:score, 1.6.17.0] 8 0.0007433967 null 31.63646 3 351.5213 351.521 ms_run[1]:scan=596 R A 92 101 20201006_LU1_DaIt_Aurora5_HEK1_BOXCAR_SWATH_2ul_msp.msp reference num 3
PSM VHIDIGADGR 3 P31942-5 0 D:\pavel\BoxCar\lib\discovery\homo_sapiens\UP000005640_9606.fasta;D:\pavel\BoxCar\lib\discovery\homo_sapiens\UP000005640_9606_additional.fasta; null [MS, MS:1003100, MaxQuant-DIA:score, 1.6.17.0] 8 0.0007433967 null 31.63646 3 351.5213 351.521 ms_run[1]:scan=596 R A 92 101 20201006_LU1_DaIt_Aurora5_HEK1_BOXCAR_SWATH_2ul_msp.msp reference num 3
PSM VHIDIGADGR 3 P31942-6 0 D:\pavel\BoxCar\lib\discovery\homo_sapiens\UP000005640_9606.fasta;D:\pavel\BoxCar\lib\discovery\homo_sapiens\UP000005640_9606_additional.fasta; null [MS, MS:1003100, MaxQuant-DIA:score, 1.6.17.0] 8 0.0007433967 null 31.63646 3 351.5213 351.521 ms_run[1]:scan=596 R A 86 95 20201006_LU1_DaIt_Aurora5_HEK1_BOXCAR_SWATH_2ul_msp.msp reference num 3
PSM LSEGFSIHTR 4 P20618 1 D:\pavel\BoxCar\lib\discovery\homo_sapiens\UP000005640_9606.fasta;D:\pavel\BoxCar\lib\discovery\homo_sapiens\UP000005640_9606_additional.fasta; null [MS, MS:1003100, MaxQuant-DIA:score, 1.6.17.0] 8 0.0009548356 null 35.47694 3 382.868 382.8683 ms_run[1]:scan=672 R D 57 66 20201006_LU1_DaIt_Aurora5_HEK1_BOXCAR_SWATH_2ul_msp.msp reference num 4
PSM VHIEIGPDGR 5 E9PCY7 0 D:\pavel\BoxCar\lib\discovery\homo_sapiens\UP000005640_9606.fasta;D:\pavel\BoxCar\lib\discovery\homo_sapiens\UP000005640_9606_additional.fasta; null [MS, MS:1003100, MaxQuant-DIA:score, 1.6.17.0] 8 0.0007840503 null 33.60837 3 364.8643 364.8647 ms_run[1]:scan=635 R V 317 326 20201006_LU1_DaIt_Aurora5_HEK1_BOXCAR_SWATH_2ul_msp.msp reference num 5
PSM VHIEIGPDGR 5 G8JLB6 0 D:\pavel\BoxCar\lib\discovery\homo_sapiens\UP000005640_9606.fasta;D:\pavel\BoxCar\lib\discovery\homo_sapiens\UP000005640_9606_additional.fasta; null [MS, MS:1003100, MaxQuant-DIA:score, 1.6.17.0] 8 0.0007840503 null 33.60837 3 364.8643 364.8647 ms_run[1]:scan=635 R V 317 326 20201006_LU1_DaIt_Aurora5_HEK1_BOXCAR_SWATH_2ul_msp.msp reference num 5
PSM VHIEIGPDGR 5 H0YB39 0 D:\pavel\BoxCar\lib\discovery\homo_sapiens\UP000005640_9606.fasta;D:\pavel\BoxCar\lib\discovery\homo_sapiens\UP000005640_9606_additional.fasta; null [MS, MS:1003100, MaxQuant-DIA:score, 1.6.17.0] 8 0.0007840503 null 33.60837 3 364.8643 364.8647 ms_run[1]:scan=635 R V 192 201 20201006_LU1_DaIt_Aurora5_HEK1_BOXCAR_SWATH_2ul_msp.msp reference num 5
PSM VHIEIGPDGR 5 H0YBD7 0 D:\pavel\BoxCar\lib\discovery\homo_sapiens\UP000005640_9606.fasta;D:\pavel\BoxCar\lib\discovery\homo_sapiens\UP000005640_9606_additional.fasta; null [MS, MS:1003100, MaxQuant-DIA:score, 1.6.17.0] 8 0.0007840503 null 33.60837 3 364.8643 364.8647 ms_run[1]:scan=635 R V 131 140 20201006_LU1_DaIt_Aurora5_HEK1_BOXCAR_SWATH_2ul_msp.msp reference num 5
PSM VHIEIGPDGR 5 H0YBG7 0 D:\pavel\BoxCar\lib\discovery\homo_sapiens\UP000005640_9606.fasta;D:\pavel\BoxCar\lib\discovery\homo_sapiens\UP000005640_9606_additional.fasta; null [MS, MS:1003100, MaxQuant-DIA:score, 1.6.17.0] 8 0.0007840503 null 33.60837 3 364.8643 364.8647 ms_run[1]:scan=635 R V 73 82 20201006_LU1_DaIt_Aurora5_HEK1_BOXCAR_SWATH_2ul_msp.msp reference num 5
PSM VHIEIGPDGR 5 P31943 0 D:\pavel\BoxCar\lib\discovery\homo_sapiens\UP000005640_9606.fasta;D:\pavel\BoxCar\lib\discovery\homo_sapiens\UP000005640_9606_additional.fasta; null [MS, MS:1003100, MaxQuant-DIA:score, 1.6.17.0] 8 0.0007840503 null 33.60837 3 364.8643 364.8647 ms_run[1]:scan=635 R V 317 326 20201006_LU1_DaIt_Aurora5_HEK1_BOXCAR_SWATH_2ul_msp.msp reference num 5
PSM VHIEIGPDGR 5 P52597 0 D:\pavel\BoxCar\lib\discovery\homo_sapiens\UP000005640_9606.fasta;D:\pavel\BoxCar\lib\discovery\homo_sapiens\UP000005640_9606_additional.fasta; null [MS, MS:1003100, MaxQuant-DIA:score, 1.6.17.0] 8 0.0007840503 null 33.60837 3 364.8643 364.8647 ms_run[1]:scan=635 R V 317 326 20201006_LU1_DaIt_Aurora5_HEK1_BOXCAR_SWATH_2ul_msp.msp reference num 5
PSM VHIEIGPDGR 5 P55795 0 D:\pavel\BoxCar\lib\discovery\homo_sapiens\UP000005640_9606.fasta;D:\pavel\BoxCar\lib\discovery\homo_sapiens\UP000005640_9606_additional.fasta; null [MS, MS:1003100, MaxQuant-DIA:score, 1.6.17.0] 8 0.0007840503 null 33.60837 3 364.8643 364.8647 ms_run[1]:scan=635 R V 317 326 20201006_LU1_DaIt_Aurora5_HEK1_BOXCAR_SWATH_2ul_msp.msp reference num 5
PSM SDPYLEFHK 6 A0A087WYQ3 0 D:\pavel\BoxCar\lib\discovery\homo_sapiens\UP000005640_9606.fasta;D:\pavel\BoxCar\lib\discovery\homo_sapiens\UP000005640_9606_additional.fasta; null [MS, MS:1003100, MaxQuant-DIA:score, 1.6.17.0] 8 0.0007621654 null 39.08084 3 379.1856 379.1855 ms_run[1]:scan=744 K Q 159 167 20201006_LU1_DaIt_Aurora5_HEK1_BOXCAR_SWATH_2ul_msp.msp reference num 6
PSM SDPYLEFHK 6 O75131 0 D:\pavel\BoxCar\lib\discovery\homo_sapiens\UP000005640_9606.fasta;D:\pavel\BoxCar\lib\discovery\homo_sapiens\UP000005640_9606_additional.fasta; null [MS, MS:1003100, MaxQuant-DIA:score, 1.6.17.0] 8 0.0007621654 null 39.08084 3 379.1856 379.1855 ms_run[1]:scan=744 K Q 159 167 20201006_LU1_DaIt_Aurora5_HEK1_BOXCAR_SWATH_2ul_msp.msp reference num 6
PSM FSDFLGLHSK 7 D6RC15 0 D:\pavel\BoxCar\lib\discovery\homo_sapiens\UP000005640_9606.fasta;D:\pavel\BoxCar\lib\discovery\homo_sapiens\UP000005640_9606_additional.fasta; null [MS, MS:1003100, MaxQuant-DIA:score, 1.6.17.0] 8 0.0007456864 null 56.63172 3 384.2015 384.2012 ms_run[1]:scan=1094 R L 183 192 20201006_LU1_DaIt_Aurora5_HEK1_BOXCAR_SWATH_2ul_msp.msp reference num 7
PSM FSDFLGLHSK 7 O60749 0 D:\pavel\BoxCar\lib\discovery\homo_sapiens\UP000005640_9606.fasta;D:\pavel\BoxCar\lib\discovery\homo_sapiens\UP000005640_9606_additional.fasta; null [MS, MS:1003100, MaxQuant-DIA:score, 1.6.17.0] 8 0.0007456864 null 56.63172 3 384.2015 384.2012 ms_run[1]:scan=1094 R L 184 193 20201006_LU1_DaIt_Aurora5_HEK1_BOXCAR_SWATH_2ul_msp.msp reference num 7
PSM FSDFLGLHSK 7 O60749-2 0 D:\pavel\BoxCar\lib\discovery\homo_sapiens\UP000005640_9606.fasta;D:\pavel\BoxCar\lib\discovery\homo_sapiens\UP000005640_9606_additional.fasta; null [MS, MS:1003100, MaxQuant-DIA:score, 1.6.17.0] 8 0.0007456864 null 56.63172 3 384.2015 384.2012 ms_run[1]:scan=1094 R L 67 76 20201006_LU1_DaIt_Aurora5_HEK1_BOXCAR_SWATH_2ul_msp.msp reference num 7";