#![allow(clippy::missing_panics_doc)]
use crate::{MaxQuantData, MaxQuantVersion, test_format};
use std::io::BufReader;
#[test]
fn maxquant_msms() {
match test_format::<MaxQuantData>(
BufReader::new(MAXQUANT_MSMS.as_bytes()),
&mzcore::ontology::STATIC_ONTOLOGIES,
false,
false,
Some(MaxQuantVersion::MSMS),
) {
Ok(n) => assert_eq!(n, 19),
Err(e) => {
println!("{e}");
panic!("Failed identified peptides test");
}
}
}
#[test]
fn maxquant_msms_scans() {
match test_format::<MaxQuantData>(
BufReader::new(MAXQUANT_MSMS_SCANS.as_bytes()),
&mzcore::ontology::STATIC_ONTOLOGIES,
false,
false,
Some(MaxQuantVersion::MSMSScans),
) {
Ok(n) => assert_eq!(n, 19),
Err(e) => {
println!("{e}");
panic!("Failed identified peptides test");
}
}
}
#[test]
fn maxquant_novo_msms_scans() {
match test_format::<MaxQuantData>(
BufReader::new(MAXQUANT_NOVO_MSMS_SCANS.as_bytes()),
&mzcore::ontology::STATIC_ONTOLOGIES,
false,
false,
Some(MaxQuantVersion::NovoMSMSScans),
) {
Ok(n) => assert_eq!(n, 19),
Err(e) => {
println!("{e}");
panic!("Failed identified peptides test");
}
}
}
#[test]
fn maxquant_novo_msms_scans_new() {
match test_format::<MaxQuantData>(
BufReader::new(MAXQUANT_NOVO_MSMS_SCANS_NEW.as_bytes()),
&mzcore::ontology::STATIC_ONTOLOGIES,
false,
false,
Some(MaxQuantVersion::NovoMSMSScans),
) {
Ok(n) => assert_eq!(n, 19),
Err(e) => {
println!("{e}");
panic!("Failed identified peptides test");
}
}
}
#[test]
fn maxquant_silac() {
match test_format::<MaxQuantData>(
BufReader::new(MAXQUANT_SILAC.as_bytes()),
&mzcore::ontology::STATIC_ONTOLOGIES,
false,
false,
Some(MaxQuantVersion::Silac),
) {
Ok(n) => assert_eq!(n, 19),
Err(e) => {
println!("{e}");
panic!("Failed identified peptides test");
}
}
}
#[ignore = "Format currently not supported but test already added to make it easy to enable when the parser is extended"]
#[test]
fn maxquant_all_peptides() {
match test_format::<MaxQuantData>(
BufReader::new(MAXNOVO_ALL_PEPTIDES.as_bytes()),
&mzcore::ontology::STATIC_ONTOLOGIES,
false,
false,
Some(MaxQuantVersion::MSMS),
) {
Ok(n) => assert_eq!(n, 19),
Err(e) => {
println!("{e}");
panic!("Failed identified peptides test");
}
}
}
const MAXQUANT_MSMS: &str = "Raw file Scan number Scan index Sequence Length Missed cleavages Modifications Modified sequence Oxidation (M) Probabilities oxidation(w) Probabilities Oxidation (M) Score diffs oxidation(w) Score diffs Gln->pyro-Glu Glu->pyro-Glu Oxidation (M) oxidation(w) Proteins Charge Fragmentation Mass analyzer Type Scan event number Isotope index m/z Mass Mass error [ppm] Mass error [Da] Simple mass error [ppm] Retention time PEP Score Delta score Score diff Localization prob Combinatorics PIF Fraction of total spectrum Base peak fraction Precursor full scan number Precursor Intensity Precursor apex fraction Precursor apex offset Precursor apex offset time Matches Intensities Mass deviations [Da] Mass deviations [ppm] Masses Number of matches Intensity coverage Peak coverage Unfragmented precursor intensity Unfragmented precursor fraction Neutral loss level ETD identification type Reverse All scores All sequences All modified sequences MS3 scan numbers Reporter PIF Reporter fraction id Protein group IDs Peptide ID Mod. peptide ID Evidence ID Oxidation (M) site IDs oxidation(w) site IDs Mass deficit
20220225_L1_UM8_Peng0013_SA_mab_A_1_tryp 13268 9541 AAPSVTLFPPSSEELQANK 19 0 Unmodified _AAPSVTLFPPSSEELQANK_ 0 0 0 0 IGLC3;IGLC2;IGLC6;IGLC7 3 ETHCD FTMS MSMS 6 662.67747 1985.0106 NaN NaN 1.8636318 58.734 0.017559 57.352 54.205 NaN NaN 1 0 0 0 13262 6123579.5 0.4944330476421861 6 -0.2669410705566406 y7;y10;y11;y13;y14;c3;c5;c6;c11;c12;c14;c15;c16;c17;c18;z°1;z°2;z°3;z°7;z°8;z°12;z°13;z°15;z°16;z'2;z'18 2770.971435546875;10292.0849609375;54295.921875;4390.515625;1351.7666015625;6203.7548828125;3477.310302734375;6202.57666015625;12855.75390625;14654.42578125;21939.880859375;31883.1640625;30842.6640625;14824.419921875;24749.46875;3728.290771484375;1238.7689208984375;9095.4375;2436.718994140625;6729.138671875;21537.138671875;19962.28515625;9211.7431640625;5796.3505859375;2133.27783203125;3119.4990234375 0.007465081987561462;0.0016557981921323517;-0.0006528410613100277;0.0011892476247794548;0.0022059764876303234;-0.0001424394082505387;-0.0017716840594061978;-0.001725394306618;-0.0014198162411958037;-0.0010817414868142805;-0.0017515587519483233;0.010050551253925732;-0.00041923705339286244;-0.003696086472928073;0.002471265092935937;-0.00011240368280596158;-0.0005504349984164492;-0.0009356147507446622;-0.0018595733498614209;-0.0010790430047791233;-0.0011147231489303522;0.0005530898861252354;-0.0023915377585126407;-0.002475787596495138;-0.00038531500780436545;0.018494814423092976 8.978786860325311;1.5018089527057223;-0.5442197465989401;0.8146973879207076;1.4133733688608707;-0.5538920393026521;-3.9969136505380667;-3.16987048628711;-1.3078626833153697;-0.9224901002266982;-1.2242516190414676;6.51030901412731;-0.2507609741134921;-2.1206536468428028;1.3308291526678353;-0.8574268673402518;-2.2454127508838386;-2.959166860812196;-2.280555143675931;-1.1957015599504723;-0.837733916839391;0.3830996046548967;-1.4548460483594012;-1.4303679683157235;-1.565397089972868;9.734362155893091 831.4132080078125;1102.535837963408;1199.5909104546615;1459.7415462625754;1560.7882080078125;257.1609594351082;443.2630310058594;544.3106631902067;1085.6003916226412;1172.6320819577868;1430.7179379674521;1543.7901998378463;1671.8592471375537;1742.8996377747733;1856.9363978704075;131.0941925048828;245.13755798339844;316.17505695095076;815.40380859375;902.4350564733049;1330.641062183549;1443.723458350914;1643.8424953688584;1730.8746080285964;246.1452178955078;1899.951340098477 26 0.03580576304537366 0.08176100628930817 0 0 None Unknown 57.35223277771986;3.1467750414827766;1.7776555042975895 AAPSVTLFPPSSEELQANK;DIALERGQEADAVAAELSK;ANAQLEESSPPFLTVSPAK _AAPSVTLFPPSSEELQANK_;_DIALERGQEADAVAAELSK_;_ANAQLEESSPPFLTVSPAK_ 0 22 0 0 0 0.05746640861548258
20220225_L1_UM8_Peng0013_SA_mab_A_1_tryp 13447 9704 AAPSVTLFPPSSEELQANK 19 0 Unmodified _AAPSVTLFPPSSEELQANK_ 0 0 0 0 IGLC3;IGLC2;IGLC6;IGLC7 3 ETHCD FTMS MSMS 9 662.67747 1985.0106 NaN NaN 2.3170299 59.502 0.00023293 125.28 113.2 NaN NaN 1 0 0 0 13438 731249.625 0.059042914471177474 20 -1.0261764526367188 y1;y2;y10;y11;y12;y13;c3;c4;c5;c6;c11;c12;c13;c14;c15;c16;c17;c18;z°1;z°3;z°7;z°8;z°12;z°13;z°14;z°15;z°16;z'2;z'18 2392.554931640625;1138.020751953125;5723.35302734375;28788.640625;3949.9716796875;3274.597412109375;1994.0433349609375;1733.2158203125;2244.16796875;3484.68896484375;7114.0322265625;11712.7099609375;17419.87890625;18966.828125;8295.1748046875;22702.578125;15332.8994140625;13395.9970703125;691.71630859375;4937.03955078125;1239.6055908203125;4233.3212890625;16935.47265625;13415.6025390625;18506.494140625;9812.1220703125;3624.2197265625;1528.7862548828125;2496.37646484375 0.00024008368592376428;-0.0003352767312208016;-0.002703682795527129;-0.0007559904013305641;0.003873260041245885;-0.0013349320995530434;-1.0641018775459088E-05;-0.0009717330719354322;-0.00015425241878119778;-0.00011052589650262234;0.003858371944488681;0.0036041633063632617;0.0034277112094969198;0.0026071805975789175;0.003863670350256143;0.003938819510040048;0.007346484198251346;0.0030827725192921207;0.0004369127234440384;-7.299973748331468E-05;-0.0019206085061114209;-0.000940937171776568;0.002071167940584928;0.0003968143205383967;-0.013600823359183778;0.0036192893871884735;-0.006934674250715034;0.00014874260938313455;0.0045724411361334205 1.6319726830532497;-1.2838175088469388;-2.4522305869609653;-0.6302067894450941;2.8762085474484027;-0.91449736058771;-0.04137884791104829;-2.823214780595352;-0.3479942400972605;-0.2030572463261335;3.554153751007683;3.073579312998058;2.63331779438421;1.8222938786850273;2.502707211582579;2.35595776628987;4.2151197835975465;1.660139538443642;3.332829211374332;-0.23088455285427847;-2.355407642332502;-1.042664853304599;1.556522610310627;0.2748547689587114;-8.804345458703771;2.201733214479358;-4.006446425557574;0.6042893434216744;2.406591965889362 147.11256408691406;261.15606689453125;1102.5401974443957;1199.5910136040015;1346.6547982697589;1459.7440704422997;257.16082763671875;344.1938171386719;443.26141357421875;544.3090483217966;1085.5951134344555;1172.6273960529936;1301.6701656012906;1430.7135792281026;1543.79638671875;1671.8548890809902;1742.888595204102;1856.9357863629812;131.09364318847656;316.1741943359375;815.4038696289062;902.4349183674719;1330.6378762924594;1443.7236146264795;1544.7852907382592;1643.8364845417127;1730.8790669152506;246.14468383789062;1899.965262471764 29 0.2438005750924478 0.13302752293577982 0 0 None Unknown 125.2790195118964;12.080040696317239;4.44412852167444 AAPSVTLFPPSSEELQANK;DIALERGQEADAVAAELSK;ANAQLEESSPPFLTVSPAK _AAPSVTLFPPSSEELQANK_;_DIALERGQEADAVAAELSK_;_ANAQLEESSPPFLTVSPAK_ 1 22 0 0 1 0.05746640861548258
20220225_L1_UM8_Peng0013_SA_mab_A_1_tryp 13448 9705 AAPSVTLFPPSSEELQANK 19 0 Unmodified _AAPSVTLFPPSSEELQANK_ 0 0 0 0 IGLC3;IGLC2;IGLC6;IGLC7 3 CID FTMS MSMS 10 662.67747 1985.0106 NaN NaN 2.3170299 59.508 0.017189 54.355 52.994 NaN NaN 1 0 0 0 13438 731249.625 0.059042914471177474 20 -1.0261764526367188 y1;y2;y3;y4;y5;y6;y7;y8;y9;y10;y11;y12;y8-H2O;y9-H2O;y10-H2O;y11-H2O;y1-NH3;y2-NH3;y4-NH3;y7-NH3;b2;b3;b7;b8;b7-H2O;b8-H2O 11437.2421875;5517.70068359375;5879.0009765625;4730.2265625;2970.7822265625;4980.73828125;2117.119384765625;6560.4169921875;10804.98828125;44862.828125;120878.375;930.1884765625;1072.8460693359375;1674.8443603515625;6898.1044921875;20218.55078125;8163.56689453125;2836.39013671875;2594.78662109375;2090.646728515625;5731.69873046875;3415.752685546875;4531.10107421875;5592.41357421875;4047.81640625;4588.69140625 0.0004537067327987643;-0.0007320052468458016;-0.0001172408843217454;-0.0015067704999296438;0.000770100525073758;0.0007212024694354113;-4.2242231188538426E-05;0.0017054358547738957;0.0010810405162828829;9.211668566422304E-05;0.0008874129032392375;0.0004684048001308838;0.00012021183761135035;-0.0003831165436167794;0.00577044710712471;0.0048527144460877025;0.000409121834366033;0.0003983366125339671;-0.0013529911405498751;0.01241012111256623;0.0004188371218845077;0.00034150259844523134;0.002035469266729706;-0.0006268376466778136;0.0005910298140179293;-4.296207168863475E-05 3.0840832286899045;-2.802937506085921;-0.3529300662714872;-3.2737879603562816;1.3431953490906334;1.0268019895696536;-0.05080728734509438;1.8568610215273191;1.075144799717809;0.08354971498181459;0.739763893615337;0.34782753266116284;0.13350314111846137;-0.38797611975000307;5.32073262122772;4.106988640020054;3.145014212629123;1.631665900735315;-3.052597203685159;15.238703056869129;2.9272710734908705;1.4221339049290416;3.1786108222755844;-0.7960495201307741;0.9496662387323807;-0.05583664199769213 147.1123504638672;261.1564636230469;332.1929626464844;460.2529296875;573.334716796875;702.3773587911306;831.4207153320312;918.4509960638453;1005.4836488690838;1102.5374016449146;1199.589370200697;1346.658203125;900.4420166015625;987.4745483398438;1084.521158628193;1181.574840212854;130.08584594726562;244.1287841796875;443.2262268066406;814.3817138671875;143.08108520507812;240.13392639160156;640.3644172055334;787.4354934286469;622.3552969586862;769.4243448667719 26 0.2383018669423918 0.06860158311345646 0 0 None Unknown 54.35492206311417;1.3606151709937753;0.08398074589203781 AAPSVTLFPPSSEELQANK;ANAQLEESSPPFLTVSPAK;DIALERGQEADAVAAELSK _AAPSVTLFPPSSEELQANK_;_ANAQLEESSPPFLTVSPAK_;_DIALERGQEADAVAAELSK_ 2 22 0 0 2 0.05746640861548258
20220225_L1_UM8_Peng0013_SA_mab_A_1_tryp 3791 926 ADSSPVKAGVETTTPSK 17 1 Unmodified _ADSSPVKAGVETTTPSK_ 0 0 0 0 IGLC3;IGLC2 3 ETHCD FTMS MULTI-MSMS 3 0 558.95634 1673.8472 -0.1707 -9.5412E-05 1.0014431 15.164 5.0145E-10 243.85 243.1 NaN NaN 1 0 0 0 3788 3170214.75 0.4891794131448263 1 -0.05173492431640625 y1;y2;y3;y4;y5;y6;y7;y8;y9;y10;y11;y13;y14;y15;y16;c5;c6;c7;c8;c9;c10;c11;c12;c13;c15;c16;z°2;z°6;z°7;z°8;z°9;z°10;z°11;z°12;z°15;z'2;z'14;z'15;z'16 1069.641845703125;1427.3017578125;6794.21337890625;5608.59765625;2870.093505859375;4402.34228515625;6480.9853515625;3026.68408203125;13829.4765625;3230.140625;2401.397705078125;34621.171875;8229.419921875;22665.79296875;3393.801513671875;3559.156005859375;4666.376953125;16885.724609375;17814.51171875;45735.4609375;49360.5;65120.60546875;34380.7265625;68158.8359375;11584.4716796875;12270.7724609375;624.2240600585938;8811.9404296875;10808.7353515625;22646.2421875;2063.09716796875;11537.7353515625;10736.537109375;19061.5859375;20420.15625;2044.6448974609375;54357.203125;21418.453125;10724.1494140625 0.00019430731873626428;-0.00024798590627028716;-8.628231222473914E-05;-0.00033583724922436886;-0.0018343758645187336;-0.0004671080984053333;-0.0016031060622481164;-0.0003149346663349206;0.00044581838074009283;0.0009328502505923097;0.006546583799945438;-0.0006529830270665116;-0.002323358987496249;0.0004101417810034036;-0.005504476517671719;-0.0006770351956788545;-0.0009922090680447582;-0.0012756668436395557;0.012089613954003653;0.003887326400672464;-0.0003370405810301236;-0.00035316493858772446;-0.0003409985260987014;0.0003133469074327877;0.0014105836789894965;0.0006869145265682164;-0.00023426233750001302;-0.00028062705814591027;-0.0016433411553862243;-0.00023312739335779042;0.001772549199927198;-0.0002156392357619552;0.0007737564108083461;-0.001675881648907307;-0.0017698452634249406;0.0002055158562370707;0.001767583557693797;0.0018371152409599745;0.003266849219926371 1.320806686230659;-1.059112178100857;-0.26051605046716203;-0.7769593047953183;-3.4397033435025426;-0.7363673884114101;-2.0999972796528854;-0.3651619837448609;0.48486311958968714;0.9417884982050355;5.852486859817912;-0.49666814633498685;-1.6574576335957614;0.27548665691255375;-3.4320975525615243;-1.424691253771411;-1.727732061841159;-1.8162077705715778;15.631711185097835;4.681085020087086;-0.362602065530619;-0.33363147697444023;-0.2940667430956344;0.24856123421394144;0.9669863673892065;0.44438201749616835;-1.0739754516644309;-0.45385247918471133;-2.1988434559010748;-0.27542327935672234;1.9619725353714244;-0.22128380775648995;0.7017653355576243;-1.394642800146632;-1.2017090963284704;0.9378558841084755;1.2746270159951463;1.2465348529791567;2.0561698504667225 147.11260986328125;234.14508056640625;331.19768271481223;432.2456107438492;533.2947877565645;634.3410989628983;763.3848280570621;862.4519538018662;919.4726567724192;990.5092835283493;1118.5986328125;1314.727010147527;1401.7607089333874;1488.790003842519;1603.8228614928175;475.21538009489564;574.2841091849681;702.3793556604437;773.403104167446;830.4327701785994;929.5054084617811;1058.5480176823385;1159.595683990026;1260.6427081186923;1458.7420532080207;1545.7748052870731;218.1263427734375;618.3221884124581;747.3661442227553;846.4331479251933;903.4526059722001;974.4917079484358;1102.585681570489;1201.6565451247486;1472.7734597601632;219.13372802734375;1386.745718953542;1473.7776778317589;1588.8031911297799 39 0.51109255548913 0.23780487804878048 0 0 None Unknown 243.84832864421622;0.7523724219580439;4.890919548465482 ADSSPVKAGVETTTPSK;EKNKTENTRLGDNR;KGPQGVRDWGHYFK _ADSSPVKAGVETTTPSK_;_EKNKTENTRLGDNR_;_KGPQGVRDWGHYFK_ 3 22 1 1 3 0.03722462810446814
20220225_L1_UM8_Peng0013_SA_mab_A_1_tryp 3793 928 ADSSPVKAGVETTTPSK 17 1 Unmodified _ADSSPVKAGVETTTPSK_ 0 0 0 0 IGLC3;IGLC2 3 CID FTMS MULTI-MSMS 5 0 558.95634 1673.8472 -0.1707 -9.5412E-05 1.0014431 15.176 1.4196E-09 145.91 145.51 NaN NaN 1 0 0 0 3788 3170214.75 0.4891794131448263 1 -0.05173492431640625 y1;y2;y3;y4;y5;y6;y7;y8;y9;y10;y11;y12;y13;y14;y15;y16;y2-H2O;y3-H2O;y4-H2O;y9-H2O;y10-H2O;y11-H2O;y13-H2O;y14-H2O;y15-H2O;y16-H2O;y1-NH3;a2;b2;b3;b9;b10;b11;b2-H2O;b3-H2O;b9-H2O 11385.203125;11658.4775390625;50454.765625;9413.6982421875;8218.3681640625;20444.41796875;19817.064453125;2460.017822265625;20466.576171875;27679.84375;37243.953125;7609.3623046875;126314.78125;26423.115234375;63468.04296875;18132.787109375;4077.80126953125;6007.12890625;1284.9398193359375;1319.905029296875;2708.3466796875;1135.5537109375;15483.392578125;4067.3857421875;13616.7900390625;3962.26220703125;6900.0478515625;20705.404296875;29162.271484375;6239.7041015625;7441.26171875;4134.34765625;1714.199462890625;1813.510498046875;10902.560546875;826.2374267578125 -3.457451720123572E-05;-8.013922658278716E-05;-0.0002132316770939724;-0.00014745668124760414;0.00026197697195584624;0.0008147800215283496;0.0013739397373910833;0.0016876953249038706;0.0027854438329768527;0.0032529913371490693;0.00035885998136109265;0.002075577092000458;0.00104320289210591;0.0013993782210945938;0.004283379691287337;0.002985451183803889;5.809239041809633E-06;-0.0004722171709659051;0.0010981597531554144;0.0006848771562317779;0.004964058907034996;0.0007426396873597696;0.0005112335286412417;0.002675749414038364;0.001474638164836506;-0.0010329486601676763;-3.3383048446467E-05;-5.838648127109991E-05;-9.310520155736413E-05;8.600400337854808E-05;0.0013427704309378896;0.0020828620440624945;0.004269712774885193;-0.00011396825937026733;-0.00022347437453618113;-0.004447982018632501 -0.2350203931632261;-0.3422633686631257;-0.6438197079569511;-0.34114110553535015;0.49124425700692226;1.2844535367268302;1.799806657141516;1.9568617548307279;3.029400493992924;3.2841680648308915;0.32081032977225693;1.7045459812187767;0.793475930696481;0.9983030117737881;2.877095375376596;1.8614692801951096;0.026877918316930517;-1.5077778167711748;2.6510638470228742;0.7597405857294816;5.104458636288538;0.674762695128222;0.39425272149991686;1.9337010311752076;1.0026243180095462;-0.6513706413235572;-0.2566223453961236;-0.36703403516072;-0.49769867773640936;0.31376496016448424;1.6507941488592426;2.2826474788767963;4.099513889285892;-0.6741255436436311;-0.8726296957000296;-5.592104220058404 147.1128387451172;234.14491271972656;331.1978096641771;432.24542236328125;533.292691403728;634.3398170747784;763.3818510112625;862.449951171875;919.470317146967;990.5069633872628;1118.6048205363186;1217.6715177354079;1314.7253139616078;1401.7569861961788;1488.7861306046086;1603.814371565116;216.13426208496094;313.18750396337094;414.2336120605469;901.4618530273438;972.4946876333929;1100.5938720703125;1296.7152812446711;1383.7451451386858;1470.778374659835;1585.80782527866;130.08628845214844;159.07647705078125;187.07142639160156;274.10327569229656;813.4087656330692;912.476439457656;1041.516845703125;169.06088256835938;256.09302048437445;795.4039916992188 36 0.4851026991720078 0.1276595744680851 0 0 None Unknown 145.9147238706339;0.4034724850162738;0 ADSSPVKAGVETTTPSK;KGPQGVRDWGHYFK;EKNKTENTRLGDNR _ADSSPVKAGVETTTPSK_;_KGPQGVRDWGHYFK_;_EKNKTENTRLGDNR_ 4 22 1 1 3 0.03722462810446814
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20220225_L1_UM8_Peng0013_SA_mab_A_1_tryp 6101 3026 ALPAPIEK 8 0 Unmodified _ALPAPIEK_ 0 0 0 0 IGHG1;IGHG3 2 ETHCD FTMS MULTI-MSMS 3 0 419.75528 837.496 0.084003 3.5261E-05 2.2006388 26.357 0.0015361 89.805 36.237 NaN NaN 1 0 0 0 6098 2577775872 1 0 0 y1;y2;y3;y4;y5;y6;y7;c6;c7;z°2;z°3;z°5;z°7;cm5;cm6;b2;b3;b4;b5;b6;b7 407527.875;436424.3125;224222.484375;6085128.5;1235023.375;49838736;146845.421875;13057215;88142368;311949.71875;3597496.5;8044905.5;5355391;5844145;5576037.5;2033199;145750.484375;1165793.375;116116.8671875;959092.25;1525875.25 -9.560967345123572E-05;-0.00022750001306803824;8.136438748351793E-05;-0.0002710028450110258;-0.0004925979942527192;-0.0008553833783935261;-0.0038127351760977035;0.00040342671297821653;8.168418162313174E-06;-0.0009940026286585635;-0.002125796786401679;-0.0006097671471252397;-0.0004698961857911854;-0.002008623005053778;-0.00013966109986540687;-7.054547342022488E-05;-0.0005140909343595013;-0.0003409053803693496;0.00043532620935593513;3.080486249018577E-05;-0.00041267243523179786 -0.649906796712168;-0.8238108974247409;0.20903431587013147;-0.5572836249444363;-0.883853629259718;-1.3071602305290444;-4.967927447543069;0.6951063193064667;0.011514150606956326;-3.821063821158362;-5.695783933114596;-1.1264631499060578;-0.6253210341605739;-4.307652166807542;-0.24105516335851537;-0.38106214860165044;-1.8218434283183755;-0.9651397466795286;0.9668100714553185;0.05468107222209562;-0.5960045185104109 147.11289978027344;276.15562476681305;389.2393798828125;486.292496102045;557.3298314849942;654.3829581223783;767.469979454576;580.3813053817871;709.4242937362819;260.1376672000286;373.22286297458635;541.3112245847472;751.4479125461858;466.291828419005;579.3740234375;185.12852478027344;282.1817321777344;353.21867277998035;450.2706604003906;563.3551289021376;692.3981654756353 21 0.44316940266891564 0.2 0 0 None Unknown 89.80455506116458;53.56715335307032 ALPAPIEK;QLKPLEK _ALPAPIEK_;_(Gln->pyro-Glu)QLKPLEK_ 8 17;19 5 5 7 0.07075587874123812
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20220225_L1_UM8_Peng0013_SA_mab_A_1_tryp 6423 3319 ALPAPIEK 8 0 Unmodified _ALPAPIEK_ 0 0 0 0 IGHG1;IGHG3 2 ETHCD FTMS MULTI-MSMS 6 0 419.75528 837.496 0.084003 3.5261E-05 1.7230246 27.896 0.0057694 80.245 33.449 NaN NaN 1 0 0 0 6417 9356928 0.0036298454422029752 29 -1.5782909393310547 y1;y2;y4;y5;y6;c6;c7;z°2;z°3;z°5;z°7;cm5;cm6;b2;b4;b6;b7 2253.980712890625;1774.723388671875;35432.37890625;6701.4306640625;288638.40625;79665.5390625;511361.15625;2167.537109375;19871.3125;45344.05078125;29318.681640625;35159.484375;34317.21875;12174.087890625;6755.92626953125;5816.830078125;8375.408203125 1.1201849986264278E-05;-0.00018134648126988395;0.0001756983911604948;0.0007072705654991296;-0.00041487652060823166;0.0009058946865252437;0.0006178604581918989;-0.0018881651254787357;-0.0017199111607055784;-0.00027326267900207313;0.0005081058975520136;-0.001665422746157219;0.00016551468138459313;-9.51031717022488E-06;9.122962921992439E-06;0.00037432432077366684;-0.000208732444434645 0.07614463542027781;-0.6566823027096451;0.3613022079570988;1.2690368399840048;-0.6339969504686408;1.5608625956909346;0.8709329447103252;-7.258305403047937;-4.608273505620332;-0.5048165204494223;0.6761700317006123;-3.571634479612978;0.28567861497270347;-0.05137144757663294;0.02582811347645514;0.6644557399461751;-0.3014631122999046 147.11279296875;276.15557861328125;486.2920494008088;557.3286316164344;654.3825176155206;580.3808029138136;709.4236840442419;260.1385613625254;373.22245708896065;541.310888080279;751.4469345441024;466.2914852187461;579.3737182617188;185.1284637451172;353.21832275163706;563.3547853826793;692.3979615356445 17 0.42104908098803717 0.1328125 0 0 None Unknown 80.24471390221916;46.79620166286604 ALPAPIEK;QLKPLEK _ALPAPIEK_;_(Gln->pyro-Glu)QLKPLEK_ 12 17;19 5 5 7 0.07075587874123812
20220225_L1_UM8_Peng0013_SA_mab_A_1_tryp 6425 3321 ALPAPIEK 8 0 Unmodified _ALPAPIEK_ 0 0 0 0 IGHG1;IGHG3 2 CID FTMS MULTI-MSMS 8 0 419.75528 837.496 0.084003 3.5261E-05 1.7230246 27.907 0.00099322 89.046 59.897 NaN NaN 1 0 0 0 6417 9356928 0.0036298454422029752 29 -1.5782909393310547 y1;y2;y3;y4;y5;y6;y7;y2-H2O;y4-H2O;y5-H2O;y6-H2O;y1-NH3;a2;b2;b3;b4 62618.0859375;151255.4375;47044.421875;607647.625;154799.203125;1090303.625;5473.419921875;162793.28125;23470.3359375;14723.6533203125;10281.857421875;38887.9765625;430963.75;88103.578125;12990.080078125;4095.277587890625 -8.035088438873572E-05;-0.00035545071847309373;-0.00048410075947913356;-0.0005210165280118417;-0.00032413841609013616;-0.0005649734587223065;0.0013966354484864496;-0.000282450743895879;-0.0006634367437072797;-0.0004684157252086152;0.0009177420350852117;-3.3383048446467E-05;-5.1085542168038955E-05;-0.00013158062967022488;-0.0005463671046754826;-0.0005401957125172885 -0.5461852280994549;-1.2871385621167437;-1.2437078086792293;-1.0714050994456952;-0.5815918972095954;-0.8633686168634294;1.8198039870073444;-1.0941549053201856;-1.4167452195361876;-0.8685314526071193;1.4421502278612206;-0.2566223453961236;-0.32510898491553686;-0.7107526322348118;-1.9362239999202124;-1.5293512188379221 147.11288452148438;276.15575271751845;389.23994534795946;486.292746115728;557.329663025416;654.3826677124587;767.4647700839514;258.14511503124385;468.2823238496437;539.3192426164252;636.3706203106649;130.08628845214844;157.1335906982422;185.1285858154297;282.1817644539047;353.2188720703125 16 0.6130887653280783 0.06779661016949153 0 0 None Unknown 89.04619015745013;29.14901445994254 ALPAPIEK;QLKPLEK _ALPAPIEK_;_(Gln->pyro-Glu)QLKPLEK_ 13 17;19 5 5 7 0.07075587874123812
20220225_L1_UM8_Peng0013_SA_mab_A_1_tryp 4851 1890 AMKPWIQPK 9 1 Oxidation (M) _AM(Oxidation (M))KPWIQPK_ AM(1)KPWIQPK AM(76)KPWIQPK 0 0 1 0 CON__P02663 3 ETHCD FTMS MULTI-MSMS 7 0 372.20744 1113.6005 0.20657 7.6888E-05 1.2434559 20.24 0.0020528 76.064 74.177 76.064 1 1 0 0 0 4844 14932849 0.5668792127735999 -1 0.051662445068359375 y1;y2;y3;y4;y5;y6;y7;c2;c4;c5;c6;c8;z°3;z°4;z°7;z'8 3729.110595703125;20935.962890625;6237.0693359375;10659.00390625;15703.4716796875;114229.8359375;56682.9453125;7145.84619140625;39636.015625;43684.50390625;482978.40625;148973.453125;40262.0234375;50055.984375;760855.6875;32248.0625 -0.00011086846251373572;-0.0004628611890780121;0.00021497316777185915;-0.0005957519908292852;-0.001161895422114867;-0.0016740000626214169;-0.0018525730076817126;-0.0003356101359202057;-0.0011111784478430309;-0.0008324869525040413;-0.0011244188509635933;-0.0027715777140429054;-2.041069376446103E-05;-0.0016555533611608553;-0.0018746933109241581;0.00041333176523039583 -0.753628343808544;-1.8956821610386545;0.5775372030700919;-1.227573009935954;-1.7305853511914526;-2.1784339599628315;-2.066365132835774;-1.42143434557877;-2.4090319288247612;-1.2860234149433922;-1.47868410905003;-2.8122668412356533;-0.05730034234459209;-3.5277745870907817;-2.1290790868266973;0.4018550517063187 147.1129150390625;244.16603088378906;372.22393056083223;485.30880526639083;671.388684363322;768.4419603199625;896.5371019106076;236.10667419433594;461.2551766323478;647.3342108943525;760.4185668066509;985.531555328914;356.20544187529373;469.29114099836113;880.5183999615109;1028.5593361968347 16 0.19905655632954763 0.07920792079207921 0 0 None Unknown 76.06406123404466;36.42448247123975;1.8869224993972666 AMKPWIQPK;AMKPWIQPK;KDAGGRQVQR _AM(Oxidation (M))KPWIQPK_;_AMKPW(oxidation(w))IQPK_;_KDAGGRQVQR_ 14 3 6 6 8 1 0.048229663591882854
20220225_L1_UM8_Peng0013_SA_mab_A_1_tryp 4852 1891 AMKPWIQPK 9 1 Oxidation (M) _AM(Oxidation (M))KPWIQPK_ AM(1)KPWIQPK AM(88)KPWIQPK 0 0 1 0 CON__P02663 3 CID FTMS MULTI-MSMS 8 0 372.20744 1113.6005 0.20657 7.6888E-05 1.2434559 20.247 0.00055813 88.37 88.37 88.37 1 1 0 0 0 4844 14932849 0.5668792127735999 -1 0.051662445068359375 y1;y2;y3;y4;y5;y6;y7;y8;y1-NH3;y2-NH3;y3-NH3;y6-NH3;y7-NH3;y8-NH3;a2;b2;b5;b6;b7;b7-NH3 109192.984375;368988.28125;47378.9921875;109783.0546875;87598.0234375;616023.375;134511.953125;143007.0625;66646.1328125;11889.484375;295155.46875;21663.109375;29962.380859375;3487.88916015625;2216.5;25756.98046875;41020.140625;10225.8466796875;6808.6474609375;859.0084228515625 -0.00021767998595123572;-0.0004323436109530121;-0.0007801447204087708;-0.0008664983787980418;-0.0007587105810671346;-0.0007770464154646106;-0.0019175546244696307;-0.0016905316640531964;-0.000155453360946467;-0.0004769285093857434;-0.0005883557936385841;-0.0028672347871179227;-0.0037370799709606217;-0.005261922693080123;0.002614728764058327;-0.000471747768727937;-0.0010129105439773411;-0.0006271126214869582;-0.0021714837839681422;-0.004812678800021786 -1.4796785710262992;-1.770695388811563;-2.095895966628896;-1.7854567771883703;-1.1300622938121259;-1.0111984542582846;-2.1388456555757562;-1.6199467930657252;-1.1950007715804116;-2.0997163333563136;-1.656415541620118;-3.815772462473646;-4.249035957200029;-5.125835046032383;13.683786041960738;-2.153310234698261;-1.6070092677500174;-0.8435832320907222;-2.4918006675426523;-5.632634108655406 147.11302185058594;244.16600036621094;372.2249256787204;485.3090760127788;671.388281178481;768.4410633663153;896.5371668922244;1043.572339097564;130.08641052246094;227.13949584960938;355.19818478829364;751.416604453187;879.5124373160709;1026.549361387093;191.08226013183594;219.08026123046875;630.307842216444;743.3915203989214;871.4516422814839;854.427734375 20 0.24694797591945428 0.04405286343612335 0 0 None Unknown 88.36965876740499;46.446666962778366;0 AMKPWIQPK;AMKPWIQPK;QRELERQR _AM(Oxidation (M))KPWIQPK_;_AMKPW(oxidation(w))IQPK_;_QRELERQR_ 15 3 6 6 8 1 0.048229663591882854
20220225_L1_UM8_Peng0013_SA_mab_A_1_tryp 6497 3386 AMKPWIQPK 9 1 Unmodified _AMKPWIQPK_ 0 0 0 0 CON__P02663 3 ETHCD FTMS MULTI-MSMS 3 0 366.8758 1097.6056 -0.70904 -0.00026013 1.0926832 28.262 0.019498 60.892 58.04 NaN NaN 1 0 0 0 6494 2753523 1 0 0 y1;y2;y5;y6;y7;c4;c5;c6;c8;z°3;z°4;z°7;z'7;z'8 1976.5899658203125;2730.24462890625;3133.66796875;27052.400390625;7708.90966796875;2560.681884765625;3309.382080078125;69323.6640625;20002.701171875;7566.33154296875;6120.1962890625;23507.57421875;47273.5703125;7608.4423828125 0.0003316364202987643;0.0003611134202969879;-1.8421330651108292E-05;-0.0006675404857787726;-0.0010136373374507457;5.659351876374785E-05;-0.0008871804368482117;0.0001625600806391958;-0.003088185132128274;-3.59150384952045E-05;-0.0007837139268076498;4.577601248456631E-05;0.0017083390893049;0.0010119486735220562 2.2543052576436904;1.4789716555778913;-0.02743770107307897;-0.8686945723354234;-1.130614989389539;0.1271024432652278;-1.4052354498276147;0.21837076401418237;-3.1852165189071555;-0.10082674970621461;-1.6699982469532997;0.05198768399083945;1.9379412484564082;0.999392483296536 147.1124725341797;244.1652069091797;671.3875408892305;768.4409538603857;896.5362629749374;445.25909423828125;631.3393509657369;744.4223652056194;969.5369573142322;356.20545737963846;469.2902691589268;880.5164794921875;881.5226419612106;1012.5638229578265 14 0.1942208177331933 0.0880503144654088 0 0 None Unknown 60.89180140430557;2.8518191005973565 AMKPWIQPK;QESLELIRK _AMKPWIQPK_;_(Gln->pyro-Glu)QESLELIRK_ 16 3 6 7 9 0.06067270221819854
20220225_L1_UM8_Peng0013_SA_mab_A_1_tryp 6499 3388 AMKPWIQPK 9 1 Unmodified _AMKPWIQPK_ 0 0 0 0 CON__P02663 3 CID FTMS MULTI-MSMS 5 0 366.8758 1097.6056 -0.70904 -0.00026013 1.0926832 28.274 0.00059441 88.37 86.334 NaN NaN 1 0 0 0 6494 2753523 1 0 0 y1;y2;y3;y4;y5;y6;y7;y8;y1-NH3;y2-NH3;y3-NH3;y5-NH3;y6-NH3;y7-NH3;a2;b2;b4;b5;b6;b7(2+) 15274.078125;36969.87890625;7032.0341796875;13885.4453125;17214.212890625;129998.203125;22643.21875;4551.54931640625;13168.87890625;1289.09716796875;29024.859375;1013.5811767578125;2346.6923828125;3783.072998046875;12648.0966796875;1824.768310546875;4553.384765625;4629.75537109375;713.0250854492188;4553.384765625 0.00010275458436126428;4.06788499844879E-05;-0.00022764139640685244;6.14274542840576E-05;0.0005343120318457295;0.0005686528247679234;0.0005743620316707165;0.0025009040712120623;0.000134463631241033;2.6611529676756618E-05;8.521558771690252E-05;-0.007312766412610472;-0.0013628792563622483;-0.005177456190040175;0.00011648849999801314;2.0734623461748924E-05;0.0032926482687685166;0.00032599034841496177;0.004377101700015373;0.0016072390687895677 0.6984752735298337;0.1666035759717133;-0.6115703667249786;0.12657412517428518;0.7958331651814565;0.7400096737507406;0.6406467565645118;2.433796434940195;1.0336508661738062;0.11715967129275393;0.2399104301855961;-11.175306883876477;-1.8137501577824617;-5.886724838981539;0.6653070075517338;0.1020983251113691;7.68898391337754;0.5306596105541396;6.017531259108548;3.7532206103195196 147.11270141601562;244.16552734375;372.2243731753964;485.3081480869457;671.386988155868;768.4397176670751;896.5346749755682;1027.5732330397288;130.08612060546875;227.1389923095703;355.1975112169123;654.3682861328125;751.4151000976562;879.51387769229;175.08984375;203.08485412597656;428.22930908203125;614.3115886934517;727.3916015625;428.22930908203125 20 0.2678539567186284 0.06884057971014493 0 0 None Unknown 88.36965876740499;2.0357826168845694 AMKPWIQPK;QESLELIRK _AMKPWIQPK_;_(Gln->pyro-Glu)QESLELIRK_ 17 3 6 7 9 0.06067270221819854
20220225_L1_UM8_Peng0013_SA_mab_A_1_tryp 4423 1501 AQYEEIANR 9 0 Unmodified _AQYEEIANR_ 0 0 0 0 CON__P13647 2 ETHCD FTMS MULTI-MSMS 8 0 547.26727 1092.52 0.38385 0.00021007 2.9840251 18.151 0.0030574 101.64 54.457 NaN NaN 1 0 0 0 4415 6947319 0.2999219556621128 1 -0.055812835693359375 y1;y3;y4;y5;y6;y7;c8;z°3;z°4;z°5;z°6;z°7;z°8;z'2 951.2175903320312;1620.69384765625;2248.073486328125;3184.73095703125;5610.0224609375;29416.81640625;4918.42724609375;7124.21240234375;15928.6630859375;29674.12109375;15365.568359375;6655.4052734375;12492.44921875;2971.8740234375 9.92025780988115E-06;-0.0010493086093106285;3.7376868817773357E-05;-0.0009031414699620655;-0.000267138044478088;-0.0001872590358971138;0.0012115104174199587;-0.001802254228948641;-0.000927774521471747;-0.001022136310893984;-0.0006786258413740143;-0.0011767274172598263;-0.0005790530335616495;-0.0002645262874807486 0.05664868506977645;-2.913127387141585;0.07897361037002955;-1.4994216418204749;-0.3652577880507904;-0.20936089749947268;1.2937392895638113;-5.236339651760932;-2.0289634931741807;-1.7433437725093983;-0.9486624077739183;-1.3396045418875049;-0.5753294983888272;-0.9648917967440759 175.1189422607422;360.2000427246094;473.28302001953125;602.3265536340699;731.3685107268444;894.4317593861358;936.4409253029826;344.182071600829;457.2652611015215;586.3079485595109;715.3501981452414;878.4140247851172;1006.4720046221336;274.1512451171875 14 0.2324769183073939 0.15730337078651685 0 0 None Unknown 101.64353485380936;47.18689753183167;6.303046881789662 AQYEEIANR;AQYEDIAQR;AFDICPLEK _AQYEEIANR_;_AQYEDIAQR_;_AFDICPLEK_ 18 12 7 8 10 -0.022572234301378558";
const MAXQUANT_MSMS_SCANS: &str = "Raw file Scan number Retention time Ion injection time Total ion current Collision energy Summations Base peak intensity Elapsed time Identified Matched Reverse MS/MS IDs Sequence Length Filtered peaks m/z Mass Charge MS2 m/z Type Fragmentation Mass analyzer Parent intensity fraction Fraction of total spectrum Base peak fraction Precursor full scan number Precursor intensity Precursor apex fraction Precursor apex offset Precursor apex offset time Scan event number Modifications Modified sequence Proteins Score PEP Experiment MS3 scan numbers Reporter PIF Reporter fraction Intens Comp Factor CTCD Comp RawOvFtT AGC Fill Scan index MS scan index MS scan number
20230418_L1_UM1_Peng0013_SA_EXT00_mix3_lysN_4h_test2 3 0.0056511 NaN 109530 35 0 9009.1 0.341 -1 0 87 1349.6195068359375 NaN 0 1349.6195068359375 PEAK CID FTMS 0 0 0 -1 NaN NaN 0 NaN 1 NaN NaN LysN_sp3_L1_test2 NaN NaN 230239.9 NaN 0 1 2
20230418_L1_UM1_Peng0013_SA_EXT00_mix3_lysN_4h_test2 4 0.010648 NaN 60049 25.448551177978516 0 8063.8 0.408 -1 0 34 1349.6195068359375 NaN 0 1349.6195068359375 PEAK ETHCD FTMS 0 0 0 -1 NaN NaN 0 NaN 2 NaN NaN LysN_sp3_L1_test2 NaN NaN 220183.5 NaN 1 1 2
20230418_L1_UM1_Peng0013_SA_EXT00_mix3_lysN_4h_test2 6 0.018001 NaN 115910 35 0 15149 0.341 + -1 KSSEDFVAFMLVHKQEFKMQTGDETLT 27 79 1573.7630615234375 NaN 0 1573.7630615234375 PEAK CID FTMS 0 0 0 -1 NaN NaN 0 NaN 1 Unmodified _KSSEDFVAFMLVHKQEFKMQTGDETLT_ REV__CON__Q28107 0 0.03366231396707156 LysN_sp3_L1_test2 NaN NaN 234690.4 NaN 2 2 5
20230418_L1_UM1_Peng0013_SA_EXT00_mix3_lysN_4h_test2 7 0.022909 NaN 74998 35 0 13478 0.339 -1 0 56 1163.2366943359375 NaN 0 1163.2366943359375 PEAK CID FTMS 0 0 0 -1 NaN NaN 0 NaN 2 NaN NaN LysN_sp3_L1_test2 NaN NaN 223897.4 NaN 3 2 5
20230418_L1_UM1_Peng0013_SA_EXT00_mix3_lysN_4h_test2 8 0.027606 NaN 102770 35 0 8106.2 0.338 -1 0 74 1739.9771728515625 NaN 0 1739.9771728515625 PEAK CID FTMS 0 0 0 -1 NaN NaN 0 NaN 3 NaN NaN LysN_sp3_L1_test2 NaN NaN 227018.9 NaN 4 2 5
20230418_L1_UM1_Peng0013_SA_EXT00_mix3_lysN_4h_test2 10 0.033801 NaN 294490 35 0 15932 0.341 -1 0 117 1734.0943504131785 NaN 0 1733.8475341796875 PEAK CID FTMS 0 0 0 9 276228.03125 0.7433725255247668 2 -0.027422990649938583 1 NaN NaN LysN_sp3_L1_test2 NaN NaN 285364.1 NaN 5 3 9
20230418_L1_UM1_Peng0013_SA_EXT00_mix3_lysN_4h_test2 11 0.039586 NaN 140950 6.362137794494629 0 9751.4 0.412 -1 0 102 1734.0943504131785 NaN 0 1733.8475341796875 PEAK ETHCD FTMS 0 0 0 9 276228.03125 0.7433725255247668 2 -0.027422990649938583 2 NaN NaN LysN_sp3_L1_test2 NaN NaN 229074.2 NaN 6 3 9
20230418_L1_UM1_Peng0013_SA_EXT00_mix3_lysN_4h_test2 13 0.047435 NaN 148880 35 0 12742 0.341 -1 KSLLAPLNVELDPEIQKVRAQEREQIKVLNN 31 86 1793.0023846579024 NaN 0 1793.008544921875 PEAK CID FTMS 0 0 0 12 66956.421875 0.3254467704662902 1 -0.013797469437122345 1 Unmodified _KSLLAPLNVELDPEIQKVRAQEREQIKVLNN_ CON__Q32MB2 0 0.03483424884993438 LysN_sp3_L1_test2 NaN NaN 248185.3 NaN 7 4 12
20230418_L1_UM1_Peng0013_SA_EXT00_mix3_lysN_4h_test2 14 0.053251 NaN 98596 6.362137794494629 0 9833.9 0.412 -1 KSLLAPLNVELDPEIQKVRAQEREQIKVLNN 31 75 1793.0023846579024 NaN 0 1793.008544921875 PEAK ETHCD FTMS 0 0 0 12 66956.421875 0.3254467704662902 1 -0.013797469437122345 2 Unmodified _KSLLAPLNVELDPEIQKVRAQEREQIKVLNN_ CON__Q32MB2 0 0.02816765529174602 LysN_sp3_L1_test2 NaN NaN 233272 NaN 8 4 12
20230418_L1_UM1_Peng0013_SA_EXT00_mix3_lysN_4h_test2 17 0.065153 NaN 256780 35 0 25486 0.342 + -1 KEQIKHQEVSNPVIEESSSISEAEMKQIDEMAQDETSESGIKDSLEN 47 121 1759.4891615834924 NaN 0 1759.736328125 PEAK CID FTMS 0 0 0 -1 NaN NaN 0 NaN 1 Unmodified _KEQIKHQEVSNPVIEESSSISEAEMKQIDEMAQDETSESGIKDSLEN_ REV__CON__P02662 3.0973716062068755E-11 0.03636947474328521 LysN_sp3_L1_test2 NaN NaN 260158.6 NaN 9 6 16
20230418_L1_UM1_Peng0013_SA_EXT00_mix3_lysN_4h_test2 18 0.070984 NaN 109430 6.362137794494629 0 9619.7 0.412 + 183 KKRTTVLVKNEESLVFVQTDKPIYKPEQTV 30 74 1759.4891615834924 NaN 0 1759.736328125 PEAK ETHCD FTMS 0 0 0 -1 NaN NaN 0 NaN 2 Unmodified _KKRTTVLVKNEESLVFVQTDKPIYKPEQTV_ CON__ENSEMBL:ENSBTAP00000024146 0.0030724080800320383 0.022949660202820587 LysN_sp3_L1_test2 NaN NaN 217612 NaN 10 6 16
20230418_L1_UM1_Peng0013_SA_EXT00_mix3_lysN_4h_test2 20 0.078902 NaN 230230 35 0 20622 0.341 -1 KQEIAEINRMIQRLRSEIDHVKKQCASLQAAIADAEQRGEMALKDA 46 105 1760.2404015806294 NaN 0 1759.9840087890625 PEAK CID FTMS 0 0 0 -1 NaN NaN 0 NaN 1 Oxidation (M) _KQEIAEINRM(Oxidation (M))IQRLRSEIDHVKKQCASLQAAIADAEQRGEMALKDA_ CON__P48668 2.7558068175513996E-11 0.03670385943504501 LysN_sp3_L1_test2 NaN NaN 259568.4 NaN 11 7 19
20230418_L1_UM1_Peng0013_SA_EXT00_mix3_lysN_4h_test2 21 0.084718 NaN 91846 6.362137794494629 0 13332 0.412 -1 KQEIAEINRMIQRLRSEIDHVKKQCASLQAAIADAEQRGEMALKDA 46 65 1760.2404015806294 NaN 0 1759.9840087890625 PEAK ETHCD FTMS 0 0 0 -1 NaN NaN 0 NaN 2 Oxidation (M) _KQEIAEINRMIQRLRSEIDHVKKQCASLQAAIADAEQRGEM(Oxidation (M))ALKDA_ CON__P48668 0.47794882249273646 0.026411218974289115 LysN_sp3_L1_test2 NaN NaN 225244.5 NaN 12 7 19
20230418_L1_UM1_Peng0013_SA_EXT00_mix3_lysN_4h_test2 22 0.091432 NaN 136260 35 0 19732 0.339 -1 0 86 1563.9946204546777 NaN 0 1564.2078857421875 PEAK CID FTMS 0 0 0 19 73966.765625 0.6617400609994206 -1 0.01366424560546875 3 NaN NaN LysN_sp3_L1_test2 NaN NaN 235277.9 NaN 13 7 19
20230418_L1_UM1_Peng0013_SA_EXT00_mix3_lysN_4h_test2 23 0.096127 NaN 108090 35 0 9893.7 0.338 -1 KLSSFKADVRAHGEGQEFMTTCLVDKEEMK 30 64 1736.341470735175 NaN 0 1736.3251953125 PEAK CID FTMS 0 0 0 19 85466.1953125 0.5463427353371759 -1 0.01366424560546875 4 Unmodified _KLSSFKADVRAHGEGQEFMTTCLVDKEEMK_ CON__Q0VCM5 0 0.03422635933570534 LysN_sp3_L1_test2 NaN NaN 241494.7 NaN 14 7 19
20230418_L1_UM1_Peng0013_SA_EXT00_mix3_lysN_4h_test2 24 0.10075 NaN 65778 35 0 16616 0.338 -1 0 44 1162.9739990234375 NaN 0 1162.9739990234375 PEAK CID FTMS 0 0 0 -1 NaN NaN 0 NaN 5 NaN NaN LysN_sp3_L1_test2 NaN NaN 216144 NaN 15 7 19
20230418_L1_UM1_Peng0013_SA_EXT00_mix3_lysN_4h_test2 25 0.10537 NaN 86756 35 0 16367 0.338 -1 KIEGSSNHLVTFTVLPLEVGLHNLSFSLETSVGNEILV 38 54 1365.0689697265625 NaN 0 1365.0689697265625 PEAK CID FTMS 0 0 0 -1 NaN NaN 0 NaN 6 Unmodified _KIEGSSNHLVTFTVLPLEVGLHNLSFSLETSVGNEILV_ CON__Q1A7A4 1.6731081544702753E-12 0.03909349133594582 LysN_sp3_L1_test2 NaN NaN 219080.7 NaN 16 7 19
20230418_L1_UM1_Peng0013_SA_EXT00_mix3_lysN_4h_test2 26 0.10998 NaN 99046 35 0 8872.6 0.338 -1 0 74 1764.98681640625 NaN 0 1764.98681640625 PEAK CID FTMS 0 0 0 -1 NaN NaN 0 NaN 7 NaN NaN LysN_sp3_L1_test2 NaN NaN 238263.3 NaN 17 7 19
20230418_L1_UM1_Peng0013_SA_EXT00_mix3_lysN_4h_test2 28 0.11617 NaN 147010 35 0 6579.6 0.341 -1 0 101 1766.4884580021653 7061.9247261422615 4 1767.747314453125 MULTI CID FTMS 0 0 0 27 165744.078125 0.49159822680931803 2 -0.02665609121322632 1 NaN NaN LysN_sp3_L1_test2 NaN NaN 246445.1 NaN 18 8 27";
const MAXQUANT_NOVO_MSMS_SCANS: &str = "Raw file Scan number Retention time Ion injection time Total ion current Collision energy Summations Base peak intensity Elapsed time Identified Matched Reverse MS/MS IDs Sequence Length Filtered peaks m/z Mass Charge MS2 m/z Type Fragmentation Mass analyzer Parent intensity fraction Fraction of total spectrum Base peak fraction Precursor full scan number Precursor intensity Precursor apex fraction Precursor apex offset Precursor apex offset time Scan event number Modifications Modified sequence Proteins Score PEP Experiment MS3 scan numbers Reporter PIF Reporter fraction DN sequence DN length DN min levenshtein distance DN extension sequence DN extended DN complete DN raw score DN extension score DN extension norm. score DN normalized score DN complete score DN combined score DN nterm mass DN cterm mass DN missing mass DN nterm delta score DN cterm delta score DN term delta score DN full length delta score DN protease score DN complement score DN A2 score DN water loss score DN ammonia loss score DN agrees with andromeda DN agrees with andromeda complete DN all sequences DN all scores DN all agrees DN any agrees DN number of steps DN is dominantly y Intens Comp Factor CTCD Comp RawOvFtT AGC Fill Scan index MS scan index MS scan number
20221121_F1_UM4_Peng0013_SA_EXT00_MIX3_SP3_LysN_1h 142 0.72822 NaN 288190 35 0 40942 0.345 -1 0 44 612.1839599609375 NaN 0 612.1839599609375 PEAK CID FTMS 0 0 0 -1 NaN NaN 0 NaN 1 NaN NaN sp3_lysn_1h A 1 -1 2.4743 0 0 0.20308 0 0 980.2683953351578 164.02427087955314 1144.292666214711 0 0 0 0 0 0 0 0 0 A 0.20308 - 3 + NaN NaN 102970.2 NaN 0 140 141
20221121_F1_UM4_Peng0013_SA_EXT00_MIX3_SP3_LysN_1h 143 0.73405 NaN 206420 86.43135070800781 0 28810 0.499 -1 0 71 612.1839599609375 NaN 0 612.1839599609375 PEAK ETHCD FTMS 0 0 0 -1 NaN NaN 0 NaN 2 NaN NaN sp3_lysn_1h -1 -1 0 0 0 0 0 0 NaN NaN NaN 0 0 0 0 0 0 0 0 0 0 - 0 NaN NaN 76652.4 NaN 1 140 141
20221121_F1_UM4_Peng0013_SA_EXT00_MIX3_SP3_LysN_1h 1591 8.0177 NaN 154180 35 0 23985 0.346 -1 0 62 368.68696927490356 NaN 0 368.687255859375 PEAK CID FTMS 0 0 0 1590 157140.3125 0.768202274775432 -108 0.5617332458496094 1 NaN NaN sp3_lysn_1h C 1 -1 7.4743 0 0 1.0164 0 0 446.25032907539463 125.07152734927969 571.3218564246744 0 0 0 0 0 0.5 0 0 0 C 1.0164 - 10 + NaN NaN 67962.1 NaN 2 1587 1590
20221121_F1_UM4_Peng0013_SA_EXT00_MIX3_SP3_LysN_1h 1592 8.0235 NaN 138260 86.43135070800781 0 13394 0.499 -1 0 69 368.68696927490356 NaN 0 368.687255859375 PEAK ETHCD FTMS 0 0 0 1590 157140.3125 0.768202274775432 -108 0.5617332458496094 2 NaN NaN sp3_lysn_1h SV 2 -1 10.969 0 0 1.4917 0 0 115.0248153884723 431.2104586236938 546.2352740121661 0 0 0 0 0 0 0 0 0 SV 1.4917 - 3 + NaN NaN 63133 NaN 3 1587 1590
20221121_F1_UM4_Peng0013_SA_EXT00_MIX3_SP3_LysN_1h 1664 8.3987 NaN 146750 35 0 21485 0.346 -1 0 57 368.68696927490356 NaN 0 368.6874694824219 PEAK CID FTMS 0 0 0 1663 175349.171875 0.8572188165551929 -37 0.1924457550048828 1 NaN NaN sp3_lysn_1h C 1 -1 14.124 0 0 1.9207 0 0 128.09561111991007 443.2244967096313 571.3201078295414 0 0 0 0 0 0.7134679910804405 0 0 0 C 1.9207 - 6 + NaN NaN 66493.8 NaN 4 1658 1663
20221121_F1_UM4_Peng0013_SA_EXT00_MIX3_SP3_LysN_1h 1665 8.4045 NaN 141010 86.43135070800781 0 12527 0.499 -1 0 67 368.68696927490356 NaN 0 368.6874694824219 PEAK ETHCD FTMS 0 0 0 1663 175349.171875 0.8572188165551929 -37 0.1924457550048828 2 NaN NaN sp3_lysn_1h SV 2 -1 10.969 0 0 1.4917 0 0 115.02354689522743 431.2099665064587 546.2335134016862 0 0 0 0 0 0 0 0 0 SV 1.4917 - 4 + NaN NaN 65778.3 NaN 5 1658 1663
20221121_F1_UM4_Peng0013_SA_EXT00_MIX3_SP3_LysN_1h 2131 10.842 NaN 148540 35 0 18447 0.346 -1 0 57 368.6869691005552 NaN 0 368.6872253417969 PEAK CID FTMS 0 0 0 2130 132219.796875 0.6562021272660682 1 -0.01580524444580078 1 NaN NaN sp3_lysn_1h C 1 -1 5.4846 0 0 0.74583 0 0 446.2502371739635 125.07158838443594 571.3218255583995 0 0 0 0 0 0.5 0 0 0 C 0.74583 - 5 + NaN NaN 64707.7 NaN 6 2123 2130
20221121_F1_UM4_Peng0013_SA_EXT00_MIX3_SP3_LysN_1h 2132 10.848 NaN 141900 86.43135070800781 0 13729 0.499 -1 0 79 368.6869691005552 NaN 0 368.6872253417969 PEAK ETHCD FTMS 0 0 0 2130 132219.796875 0.6562021272660682 1 -0.01580524444580078 2 NaN NaN sp3_lysn_1h GSV 3 -1 16.198 0 0 2.2027 0 0 58.01051835895232 431.2109774225219 489.22149578147423 0 0 0 0 0 0 0 0 0 GSV 2.2027 - 7 + NaN NaN 64388.9 NaN 7 2123 2130
20221121_F1_UM4_Peng0013_SA_EXT00_MIX3_SP3_LysN_1h 2273 11.571 NaN 168290 35 0 22781 0.346 -1 0 59 368.6867934807561 735.3590340283122 2 368.6873474121094 MULTI CID FTMS 0 0 0 2272 153648.03125 0.0021594633866407883 -78 0.39493370056152344 1 NaN NaN sp3_lysn_1h KC 2 -1 41.098 0 0 5.5889 0 0 0 443.2262056940063 443.2262056940063 6.4943663581923445 0 0 0 2 0.6747425010840047 0 0 0 KC 5.5889 - 34 + NaN NaN 67513 NaN 8 2263 2272
20221121_F1_UM4_Peng0013_SA_EXT00_MIX3_SP3_LysN_1h 2274 11.577 NaN 155530 86.43135070800781 0 13132 0.499 -1 0 75 368.6867934807561 735.3590340283122 2 368.6873474121094 MULTI ETHCD FTMS 0 0 0 2272 153648.03125 0.0021594633866407883 -78 0.39493370056152344 2 NaN NaN sp3_lysn_1h DSV 3 -1 21.965 0 0 2.987 0 0 0 431.21064172916255 431.21064172916255 19.97572880015567 0 0 0 0 0 0 0 0 DSV 2.987 - 9 + NaN NaN 70694.5 NaN 9 2263 2272
20221121_F1_UM4_Peng0013_SA_EXT00_MIX3_SP3_LysN_1h 2329 11.851 NaN 213330 35 0 21792 0.346 -1 0 77 368.6867934807561 735.3590340283122 2 368.6872863769531 MULTI CID FTMS 0 0 0 2328 157009.421875 0.0022067064259679524 -24 0.11892414093017578 1 NaN NaN sp3_lysn_1h {[CQ]|[W(Oxidation_W)S]|[CK]}VKSN 6 -1 + 61.124 0 0 8.3121 8.3121 98.578 0 0 0 4.09750390332492 29.703912420598645 4.09750390332492 61.12389570242465 2 1.1549471895720984 0 0.6139829889124311 0.2614393726401688 {[CQ]|[W(Oxidation_W)S]|[CK]}VKSN 8.3121 - 36 NaN NaN 77712 NaN 10 2317 2328
20221121_F1_UM4_Peng0013_SA_EXT00_MIX3_SP3_LysN_1h 2330 11.856 NaN 178490 86.43135070800781 0 11622 0.499 -1 0 88 368.6867934807561 735.3590340283122 2 368.6872863769531 MULTI ETHCD FTMS 0 0 0 2328 157009.421875 0.0022067064259679524 -24 0.11892414093017578 2 NaN NaN sp3_lysn_1h N 1 -1 30.596 0 0 4.1607 0 0 603.3043750701075 0 603.3043750701075 0 8.630503195080184 0 0 2 0 0 0 0 N 4.1607 - 11 + NaN NaN 73346.1 NaN 11 2317 2328
20221121_F1_UM4_Peng0013_SA_EXT00_MIX3_SP3_LysN_1h 2344 11.926 NaN 234450 35 0 33223 0.347 -1 0 69 352.68261973910853 703.3506865450171 2 352.6827697753906 MULTI CID FTMS 0 0 0 2343 197840.28125 0.15698731522236797 -11 0.054450035095214844 1 NaN NaN sp3_lysn_1h SN 2 -1 35.969 0 0 5.114 0 0 484.26564733778895 0 484.26564733778895 0 22.526776942245796 0 0 2 0 0 0 0.3494850021680094 SN 5.114 - 63 + NaN NaN 86024.9 NaN 12 2330 2343
20221121_F1_UM4_Peng0013_SA_EXT00_MIX3_SP3_LysN_1h 2345 11.932 NaN 180570 86.43135070800781 0 14836 0.499 -1 0 90 352.68261973910853 703.3506865450171 2 352.6827697753906 MULTI ETHCD FTMS 0 0 0 2343 197840.28125 0.15698731522236797 -11 0.054450035095214844 2 NaN NaN sp3_lysn_1h DSV 3 -1 15.689 0 0 2.2306 0 0 0 399.20270715885005 399.20270715885005 3.9230692813577335 0 0 0 0 0 0 0 0 DSV 2.2306 - 21 + NaN NaN 72734.8 NaN 13 2330 2343
20221121_F1_UM4_Peng0013_SA_EXT00_MIX3_SP3_LysN_1h 2354 11.976 NaN 230800 35 0 34957 0.346 -1 0 85 360.1735374993197 718.3325220654394 2 360.17376708984375 MULTI CID FTMS 0 0 0 2353 680385.5 0.11367031631227191 -3 0.0146484375 1 NaN NaN sp3_lysn_1h K 1 -1 37.619 0 0 5.237 0 0 572.2272344451254 0 572.2272344451254 0 7.530586141042534 0 0 2 0.3494850021680094 0 0 0.21346799108044048 K 5.237 - 160 + NaN NaN 83612.4 NaN 14 2338 2353
20221121_F1_UM4_Peng0013_SA_EXT00_MIX3_SP3_LysN_1h 2355 11.982 NaN 255290 86.43135070800781 0 25698 0.499 -1 0 86 360.1735374993197 718.3325220654394 2 360.17376708984375 MULTI ETHCD FTMS 0 0 0 2353 680385.5 0.11367031631227191 -3 0.0146484375 2 NaN NaN sp3_lysn_1h K 1 -1 29.208 0 0 4.0661 0 0 572.2261968474692 0 572.2261968474692 0 5.299710790719445 0 0 2 0 0 0 0 K 4.0661 - 39 + NaN NaN 94582.2 NaN 15 2338 2353
20221121_F1_UM4_Peng0013_SA_EXT00_MIX3_SP3_LysN_1h 2358 11.997 NaN 839630 35 0 68756 0.346 -1 0 202 364.5184437217449 1090.5335017654347 3 364.51898193359375 MULTI CID FTMS 0 0 0 2357 846420.375 0.04209900124712305 -1 0.005328178405761719 1 NaN NaN sp3_lysn_1h P{[ET]|[MV]}{M(Oxidation (M))|F}N 5 -1 40.225 0 0 3.6886 0 0 484.30283054661885 0 484.30283054661885 0 4.7407696121679805 0 0 2 1.0189301784845295 0 0.3494850021680094 0 P{[ET]|[MV]}{M(Oxidation (M))|F}N 3.6886 - 1138 + NaN NaN 241587.2 NaN 16 2340 2357
20221121_F1_UM4_Peng0013_SA_EXT00_MIX3_SP3_LysN_1h 2359 12.003 NaN 1809400 38.41393280029297 0 97234 0.451 -1 0 157 364.5184437217449 1090.5335017654347 3 364.51898193359375 MULTI ETHCD FTMS 0 0 0 2357 846420.375 0.04209900124712305 -1 0.005328178405761719 2 NaN NaN sp3_lysn_1h KKVEPKSCD 9 -1 + 45.635 0 0 4.1847 4.1847 92.641 0 0 0 0.8303360952406962 3.0102999566398125 0.8303360952406962 3.0102999566398125 2 1.6622367467574017 0 0.2302046884880938 0 KKVEPKSCD;KKVEPKSDC;[VS]K{[VA]|[{L|I}G]}PKSCD;[VS]K{[VA]|[{L|I}G]}PKSDC;KKVEPKS[CD];KKVE{[QG]|[NA]}C{[QN]|[E{L|I}]|[KN]} 4.1847;3.9087;1.8956;1.6196;1.3996;1.0014 -;-;-;-;-;- 1105 + NaN NaN 482125.9 NaN 17 2340 2357
20221121_F1_UM4_Peng0013_SA_EXT00_MIX3_SP3_LysN_1h 2360 12.01 NaN 5302500 35 0 856390 0.343 -1 0 217 482.2263171798785 962.438081426557 2 482.22735595703125 MULTI CID FTMS 0 0 0 2357 1782684.375 0.03033970926655378 -1 0.005328178405761719 3 NaN NaN sp3_lysn_1h KVEPKSCD 8 -1 + 114.3 0 0 11.876 11.876 98.747 0 0 0 19.87283262043249 12.653262676180148 12.653262676180148 7.875344171398339 2 2.8001648626366045 0.769551078621726 1.7530834337684316 0 KVEPKSCD;KD{L|I}PKSCD;KVEPKSDC;KD{L|I}PKSDC;DK{L|I}PKSCD;{[QV]|[N{L|I}]|[RA]|[KV]}EPKSCD;{NN|[MP]|[D{L|I}]|[EV]}KPKSCD;DK{L|I}PKSDC;{[EN]|[QD]|[WG]|[KD]|[RS]}{L|I}PKSCD;{[QV]|[N{L|I}]|[RA]|[KV]}EPSKCD 11.876;11.058;10.561;9.743;9.6231;8.6085;8.3789;8.3084;7.926;7.8546 -;-;-;-;-;-;-;-;-;- 3138 + NaN NaN 1362959 NaN 18 2340 2357";
const MAXQUANT_NOVO_MSMS_SCANS_NEW: &str = "Raw file Scan number Retention time Ion injection time Total ion current Collision energy Summations Base peak intensity Elapsed time Identified Matched Reverse MS/MS IDs Sequence Length Filtered peaks m/z Mass Charge MS2 m/z Type Fragmentation Mass analyzer Parent intensity fraction Fraction of total spectrum Base peak fraction Precursor full scan number Precursor intensity Precursor apex fraction Precursor apex offset Precursor apex offset time Scan event number Modifications Modified sequence Proteins Score PEP MS3 scan numbers Reporter PIF Reporter fraction DN sequence DN length DN min levenshtein distance DN extension sequence DN extended DN complete DN raw score DN extension score DN extension norm. score DN normalized score DN complete score DN combined score DN nterm mass DN cterm mass DN missing mass DN nterm delta score DN cterm delta score DN term delta score DN full length delta score DN protease score DN complement score DN A2 score DN water loss score DN ammonia loss score DN agrees with andromeda DN agrees with andromeda complete DN all sequences DN all scores DN all agrees DN any agrees DN number of steps DN is dominantly y Intens Comp Factor CTCD Comp RawOvFtT AGC Fill Scan index MS scan index MS scan number
Peng2021_Herceptin_tryp 1082 5.5518 NaN 85826 150 0 9484.6 0.563 -1 ADPQCPQPATR 11 53 414.8530882002953 NaN 0 414.85345458984375 PEAK ETHCD FTMS 0 0 0 1081 39746.4609375 0.15245426474242343 1 -0.01165151596069336 1 2 Deamidation (NQ) _ADPQ(Deamidation (NQ))CPQ(Deamidation (NQ))PATR_ CON__Q2UVX4 0 2.494881019055721E+68 -1 -1 0 0 0 0 0 0 NaN NaN NaN 0 0 0 0 0 0 0 0 0 0 - 0 NaN NaN 44672.9 NaN 0 1080 1081
Peng2021_Herceptin_tryp 2873 14.911 NaN 911790 150 0 152240 0.563 -1 0 119 635.7412429518962 1269.4679329705923 2 635.741455078125 MULTI ETHCD FTMS 0 0 0 2872 774866.1875 0.7452108926331117 -1 0.0049343109130859375 1 NaN NaN {M(Oxidation (M))|F}{I|L}R 3 -1 34.481 0 0 2.7161 0 0 835.2041037417856 0 835.2041037417856 0 2.8165482042847323 0 0 2 0 0 0 0 {M(Oxidation (M))|F}{I|L}R 2.7161 - 256 + NaN NaN 248436.8 NaN 1 2870 2872
Peng2021_Herceptin_tryp 2875 14.922 NaN 500140 150 0 53154 0.564 -1 0 91 476.197299664117 475.190023197517 1 476.19769287109375 MULTI ETHCD FTMS 0 0 0 2874 472027.5625 0.9825358978034996 -92 0.47070789337158203 1 NaN NaN {M(Oxidation (M))|F} 1 -1 3.7176 0 0 0.78234 0 0 107.07632653484377 218.05457483463127 325.13090136947505 0 0 0 0 0 0 0 0 0 {M(Oxidation (M))|F} 0.78234 - 5 + NaN NaN 146767.3 NaN 2 2871 2874
Peng2021_Herceptin_tryp 2876 14.931 NaN 515210 35 0 53440 0.363 -1 0 137 385.7239223004127 769.4332916676254 2 385.7241516113281 MULTI CID FTMS 0 0 0 2874 902110.9375 1 0 0 2 NaN NaN {I|L}PVKQA{D|N(Deamidation (NQ))} 7 -1 + 68.358 0 0 8.8842 8.8842 97.579 0 0 0 37.90195407729474 7.793314231173241 7.793314231173241 9.34574383489921 2 0.1861818737241735 0.958607314841775 0.3494850021680094 0 {I|L}PVKQA{D|N(Deamidation (NQ))};{I|L}PVK[AG]A{D|N(Deamidation (NQ))} 8.8842;7.6695 -;- 194 + NaN NaN 150206.4 NaN 3 2871 2874
Peng2021_Herceptin_tryp 2877 14.936 NaN 122580 35 0 14971 0.363 -1 0 51 713.7921243299916 1425.569695726783 2 713.792236328125 MULTI CID FTMS 0 0 0 2874 315317.03125 1 0 0 3 NaN NaN R 1 -1 35.707 0 0 2.5048 0 0 1251.4578773447502 0 1251.4578773447502 0 21.505149978319906 0 0 2 0 0 0 0 R 2.5048 - 4 + NaN NaN 51436.4 NaN 4 2871 2874
Peng2021_Herceptin_tryp 2878 14.941 NaN 143910 35 0 7719.3 0.364 -1 CQYEALVETNRR 12 95 770.8546395201536 1539.694726107107 2 770.8555908203125 MULTI CID FTMS 0 0 0 2874 348111.6875 1 0 0 4 2 Deamidation (NQ) _CQ(Deamidation (NQ))YEALVETN(Deamidation (NQ))RR_ CON__Q9D646;CON__REFSEQ:XP_986630 0 222.79836514070942 T[{I|L}P][{D|N(Deamidation (NQ))}G]G[VP] 8 -1 35.65 0 0 2.3154 0 0 785.3093128888687 0 785.3093128888687 0 21.80971986198139 0 0 0 1.9247425010840047 0 0.805462187404089 0 T[{I|L}P][{D|N(Deamidation (NQ))}G]G[VP] 2.3154 - 91 NaN NaN 63043.1 NaN 5 2871 2874
Peng2021_Herceptin_tryp 2880 14.949 NaN 26598 85.99577331542969 0 6568.1 0.499 + -1 IRITSKACVRPEVLPLNVVQLVSPQVEAVSTTWTR 35 24 1975.57421875 NaN 0 1975.57421875 PEAK ETHCD FTMS 0 0 0 -1 NaN NaN 0 NaN 1 3 Deamidation (NQ) _IRITSKACVRPEVLPLN(Deamidation (NQ))VVQ(Deamidation (NQ))LVSPQ(Deamidation (NQ))VEAVSTTWTR_ REV__CON__P00735 5.931240732196476E-11 0.01751154576626646 -1 -1 0 0 0 0 0 0 NaN NaN NaN 0 0 0 0 0 0 0 0 0 0 - 0 NaN NaN 25960.4 NaN 6 2872 2879
Peng2021_Herceptin_tryp 2881 14.957 NaN 195680 35 0 19992 0.364 -1 ALEEANADLEQKIKGWYEK 19 63 559.5378236964274 2234.1221889193093 4 559.7886962890625 MULTI CID FTMS 0 0 0 2879 163004.4375 0.15342287228034773 1 -0.05119895935058594 2 Unmodified _ALEEANADLEQKIKGWYEK_ CON__Q7Z3Y8 0 2.4239560307942454 [{I|L}T]{M(Oxidation (M))|F}SQ 5 -1 43.094 0 0 1.9289 0 0 0 1654.7650943867413 1654.7650943867413 25.514814611342157 0 0 0 0 0 2 0 0 [{I|L}T]{M(Oxidation (M))|F}SQ 1.9289 - 36 + NaN NaN 69381.5 NaN 7 2872 2879
Peng2021_Herceptin_tryp 2882 14.962 NaN 145940 35 0 25318 0.365 -1 NLDLDSIIAEVRAQYEDIALK 21 59 598.5628801870694 2390.2224148818773 4 598.8134155273438 MULTI CID FTMS 0 0 0 2879 123938.2734375 0.13338058516784862 1 -0.05119895935058594 3 2 Deamidation (NQ) _N(Deamidation (NQ))LDLDSIIAEVRAQ(Deamidation (NQ))YEDIALK_ CON__Q6NXH9 0 0.0613598952576724 {M(Oxidation (M))|F}{E|Q(Deamidation (NQ))} 2 -1 16.643 0 0 0.69631 0 0 2096.101609073087 0 2096.101609073087 0 9.430951486635273 0 0 0 0 0 0 0 {M(Oxidation (M))|F}{E|Q(Deamidation (NQ))} 0.69631 - 13 + NaN NaN 58223.9 NaN 8 2872 2879
Peng2021_Herceptin_tryp 2883 14.967 NaN 293790 35 0 15839 0.364 -1 0 62 619.3612849829854 2473.416034065541 4 619.6121215820312 MULTI CID FTMS 0 0 0 2879 401258.84375 0.22337311931459225 1 -0.05119895935058594 4 NaN NaN {E|Q(Deamidation (NQ))}N{I|L}Y{M(Oxidation (M))|F}[QA] 7 -1 44.553 0 0 1.8013 0 0 1590.0114580080747 0 1590.0114580080747 0 36.6752380872608 0 0 0 0.8494850021680094 0 0 0 {E|Q(Deamidation (NQ))}N{I|L}Y{M(Oxidation (M))|F}[QA] 1.8013 - 47 NaN NaN 96990.4 NaN 9 2872 2879
Peng2021_Herceptin_tryp 2884 14.972 NaN 885860 35 0 129600 0.363 -1 0 73 702.2101986065297 701.2029221399297 1 702.0800170898438 MULTI CID FTMS 0 0 0 2879 520205.1875 0.7650040427200203 -1 0.02707195281982422 5 NaN NaN {M(Oxidation (M))|F} 1 -1 2.697 0 0 0.38463 0 0 331.1098774776515 220.03415857486564 551.1440360525171 0 0 0 0 0 0 0 0 0 {M(Oxidation (M))|F} 0.38463 - 12 + NaN NaN 240591.2 NaN 10 2872 2879
Peng2021_Herceptin_tryp 2885 14.977 NaN 94791 35 0 9764.6 0.364 -1 0 59 399.56669233182566 1195.678247595677 3 399.5661315917969 MULTI CID FTMS 0 0 0 2879 68629.03125 0.28076933181783054 1 -0.05119895935058594 6 NaN NaN P 1 -1 7.2125 0 0 0.60321 0 0 897.5235367575896 198.07734094791252 1095.6008777055022 0 0 0 0 0 0 0 0 0 P 0.60321 - 10 + NaN NaN 56134.6 NaN 11 2872 2879
Peng2021_Herceptin_tryp 2886 14.982 NaN 104310 35 0 10018 0.363 -1 FKDLGEEHFK 10 66 417.21214033297633 NaN 0 417.2120361328125 PEAK CID FTMS 0 0 0 2879 54217.37890625 0.24696645285141725 1 -0.05119895935058594 7 Unmodified _FKDLGEEHFK_ CON__P02769 1.0714618166137932 0.015633357781438848 AV 2 -1 8.4043 0 0 1.0096 0 0 105.97095927747769 553.3114107721311 659.2823700496089 0 0 0 0 0 0 0 0 0 AV 1.0096 - 8 + NaN NaN 46021.7 NaN 12 2872 2879
Peng2021_Herceptin_tryp 2887 14.987 NaN 57924 35 0 7120.1 0.364 -1 EVALNTIIFMGR 12 48 455.5797286704695 NaN 0 455.24578857421875 PEAK CID FTMS 0 0 0 2879 37389.453125 0.11996296422184209 1 -0.05119895935058594 8 Deamidation (NQ) _EVALN(Deamidation (NQ))TIIFMGR_ CON__P41361 0 0.014232564426154152 KV 2 -1 4.5136 0 0 0.49646 0 0 325.7993366360577 353.15754114322505 678.9568777792828 0 0 0 0 0 0 0 0 0 KV 0.49646 - 5 + NaN NaN 38326.9 NaN 13 2872 2879
Peng2021_Herceptin_tryp 2888 14.992 NaN 91039 35 0 6967.9 0.365 -1 LKECCDKPLLEK 12 67 511.59860797019223 1531.7739945107767 3 511.598388671875 MULTI CID FTMS 0 0 0 2879 82524.96875 0.2697855955605092 1 -0.05119895935058594 9 Unmodified _LKECCDKPLLEK_ CON__P02769 0.056626984729814075 222.79836514070942 H 1 -1 2.4413 0 0 0.15937 0 0 1193.615591045736 198.07785974674064 1391.6934507924766 0 0 0 0 0 0 0 0 0 H 0.15937 - 4 + NaN NaN 44991.6 NaN 14 2872 2879
Peng2021_Herceptin_tryp 2890 15.001 NaN 60557 150 0 6034.2 0.563 -1 LQGEIAHVK 9 43 497.78917607319585 NaN 0 497.789306640625 PEAK ETHCD FTMS 0 0 0 2889 35107.14453125 0.16556744977357746 1 -0.011983871459960938 1 Unmodified _LQGEIAHVK_ CON__P35908;CON__P35908v2 0 7.626347534228387E+63 Y 1 -1 0.70731 0 0 0.07119 0 0 503.3370363731511 324.13215051822505 827.4691868913761 0 0 0 0 0 0 0 0 0 Y 0.07119 - 1 + NaN NaN 39534.9 NaN 15 2873 2889
Peng2021_Herceptin_tryp 2892 15.013 NaN 272060 150 0 10832 0.563 -1 0 85 1026.4445385508618 3076.3117862527856 3 1027.1146240234375 MULTI ETHCD FTMS 0 0 0 2891 345832.96875 0.2821288695332418 3 -0.022924423217773438 1 NaN NaN {D|N(Deamidation (NQ))}A 2 -1 15.662 0 0 0.50912 0 0 2307.8609328365733 579.3620699518186 2887.223002788392 0 0 0 0 0 0 0 0 0.4247425010840047 {D|N(Deamidation (NQ))}A 0.50912 - 28 + NaN NaN 89243.9 NaN 16 2874 2891
Peng2021_Herceptin_tryp 3223 16.722 NaN 17198000 150 0 1491600 0.564 -1 0 197 382.2204605038279 1143.6395521116838 3 382.2206115722656 MULTI ETHCD FTMS 0 0 0 3222 190723056 0.41476852216237636 -1 0.0050983428955078125 1 NaN NaN YQQKPGKAPK 10 -1 + 113.26 0 0 9.9039 9.9039 98.033 0 0 0 40.86721247813779 20.036134084268156 20.036134084268156 9.179751216704588 2 2.486346736360778 1.0457574905606752 0 1.4604093769761874 YQQKPGKAPK;YQ[AG]KPGKAPK;YQQKP[KQ]PK;YQQKK[PG]APK;YQQKK[QP]PK;Y[AG]QKPGKAPK;YQ[AG]KP[KQ]PK;YQQK[{I|L}V][HT]K;YQ[AG]KK[PG]APK;YQQKPGKK[PA] 9.9039;9.1012;8.8051;8.7154;8.2748;8.1868;7.9986;7.9645;7.9127;7.904 -;-;-;-;-;-;-;-;-;- 20178 + NaN NaN 4338578 NaN 17 3204 3222
Peng2021_Herceptin_tryp 3224 16.731 NaN 13449000 35 0 807970 0.363 -1 ALVFVDNHDNQR 12 501 476.90101572458514 1427.6812177739555 3 476.90185546875 MULTI CID FTMS 0 0 0 3222 7877181.5 0.32541819426270824 -1 0.0050983428955078125 2 Deamidation (NQ) _ALVFVDNHDN(Deamidation (NQ))QR_ CON__Q3MHH8 0.26538908928332583 23.155714642610686 {I|L}{D|N(Deamidation (NQ))}NVNHKPSNTK 12 -1 146.43 0 0 10.256 0 0 61.99602626060216 0 61.99602626060216 0 80.95983742624236 0 0 2 0 0 2.2376954943324545 3.05902924611682 {I|L}{D|N(Deamidation (NQ))}NVNHKPSNTK 10.256 - 167870 + NaN NaN 3435191 NaN 18 3204 3222";
const MAXQUANT_SILAC: &str = "Sequence Length K Count R Count Modifications Modified sequence Carbamidomethyl (C) Probabilities NEM Probabilities Oxidation (M) Probabilities Carbamidomethyl (C) Score Diffs NEM Score Diffs Oxidation (M) Score Diffs Acetyl (Protein N-term) Carbamidomethyl (C) NEM Oxidation (M) Missed cleavages Proteins Leading proteins Leading razor protein Gene names Protein names Type Labeling State Raw file Experiment MS/MS m/z Charge m/z Mass Uncalibrated - Calibrated m/z [ppm] Uncalibrated - Calibrated m/z [Da] Mass error [ppm] Mass error [Da] Uncalibrated mass error [ppm] Uncalibrated mass error [Da] Max intensity m/z 0 Max intensity m/z 1 Retention time Retention length Calibrated retention time Calibrated retention time start Calibrated retention time finish Retention time calibration Match time difference Match m/z difference Match q-value Match score Number of data points Number of scans Number of isotopic peaks PIF Fraction of total spectrum Base peak fraction PEP MS/MS count MS/MS scan number MS/MS scan numbers MS3 scan numbers Score Delta score Combinatorics Ratio H/L Ratio H/L normalized Ratio H/L shift Intensity Intensity L Intensity H Reverse Potential contaminant id Protein group IDs Peptide ID Mod. peptide ID MS/MS IDs Best MS/MS Carbamidomethyl (C) site IDs NEM site IDs Oxidation (M) site IDs Taxonomy IDs Taxonomy names Mass deficit Theor. isotope correlation Isotope correlation Time correlation
AAAAAAVGPGAGGAGSAVPGGAGPCATVSVFPGAR 35 0 1 Acetyl (Protein N-term),Carbamidomethyl (C) _(Acetyl (Protein N-term))AAAAAAVGPGAGGAGSAVPGGAGPC(Carbamidomethyl (C))ATVSVFPGAR_ AAAAAAVGPGAGGAGSAVPGGAGPC(1)ATVSVFPGAR AAAAAAVGPGAGGAGSAVPGGAGPC(52)ATVSVFPGAR 1 1 0 0 0 Q86X55 Q86X55 Q86X55 CARM1 Histone-arginine methyltransferase CARM1 ISO-MSMS 0 20240503_EX1_UM3_Neder016_SA_EXT00_ssABE_LPS_2H 2H 984.4912109375 3 983.826039 2948.45629 NaN NaN -1.1278 -0.0011095 NaN NaN NaN NaN 37.209 0.15495 37.246 37.137 37.292 0.037453 0 0 0 1.252E-05 1 42275 42275 51.9 40.645 1 1.2986 1.1129 0 41203000 30702000 10501000 0 1723 0 0 0 0 4677 0.0599979585881556
AAAAAAVGPGAGGAGSAVPGGAGPCATVSVFPGAR 35 0 1 Acetyl (Protein N-term),Carbamidomethyl (C) _(Acetyl (Protein N-term))AAAAAAVGPGAGGAGSAVPGGAGPC(Carbamidomethyl (C))ATVSVFPGAR_ AAAAAAVGPGAGGAGSAVPGGAGPC(1)ATVSVFPGAR AAAAAAVGPGAGGAGSAVPGGAGPC(46)ATVSVFPGAR 1 1 0 0 0 Q86X55 Q86X55 Q86X55 CARM1 Histone-arginine methyltransferase CARM1 ISO-MSMS 0 20240503_EX1_UM3_Neder016_SA_EXT00_ssABE_LPS_3L 3L 983.826904296875 3 983.826039 2948.45629 NaN NaN -0.043596 -4.2891E-05 NaN NaN NaN NaN 37.18 0.16776 37.187 37.086 37.254 0.00774 0 0 0 0.0010182 2 41582 41509;41582 46.149 38.652 1 0.63379 0.71963 0 33916000 31452000 2463500 1 1723 0 0 1;2 2 4677 0.0599979585881556
AAAAECDVVMAATEPELLDDQEAK 24 1 0 Acetyl (Protein N-term),Carbamidomethyl (C) _(Acetyl (Protein N-term))AAAAEC(Carbamidomethyl (C))DVVMAATEPELLDDQEAK_ AAAAEC(1)DVVMAATEPELLDDQEAK AAAAEC(150)DVVMAATEPELLDDQEAK 1 1 0 0 0 Q99615 Q99615 Q99615 DNAJC7 DnaJ homolog subfamily C member 7 MULTI-MSMS 20240503_EX1_UM3_Neder016_SA_EXT00_ssABE_LPS_1H 1H 864.3967895507812 3 863.728009 2588.1622 -0.63499 -0.00054846 -0.18674 -0.00016129 -0.82173 -0.00070975 864.397299440235 866.3973555350774 43.135 0.25949 43.135 43 43.26 0 423 47 14 0 0 0 4.3535000000000003E-29 4 49980 49820;49822;49980;49994 146.6 146.6 1 0.81248 0.84241 0 895110000 413870000 481240000 2 2091 1 1 3;4;5;6 5 5431 -0.06835578745904058 0.9792858 0.95722574 0.98833406
AAAAECDVVMAATEPELLDDQEAK 24 1 0 Acetyl (Protein N-term),Carbamidomethyl (C) _(Acetyl (Protein N-term))AAAAEC(Carbamidomethyl (C))DVVMAATEPELLDDQEAK_ AAAAEC(1)DVVMAATEPELLDDQEAK AAAAEC(120)DVVMAATEPELLDDQEAK 1 1 0 0 0 Q99615 Q99615 Q99615 DNAJC7 DnaJ homolog subfamily C member 7 MSMS 1 20240503_EX1_UM3_Neder016_SA_EXT00_ssABE_LPS_2H 2H 1299.096069335938 2 1295.08838 2588.1622 NaN NaN NaN NaN NaN NaN NaN NaN 43.124 1 43.167 42.667 43.667 0.042629 0 0 0 4.9809E-17 1 50477 50477 115.82 87.183 1 3 2091 1 1 7 7 5431 -0.06835578745904058
AAAAECDVVMAATEPELLDDQEAK 24 1 0 Acetyl (Protein N-term),Carbamidomethyl (C) _(Acetyl (Protein N-term))AAAAEC(Carbamidomethyl (C))DVVMAATEPELLDDQEAK_ AAAAEC(1)DVVMAATEPELLDDQEAK AAAAEC(110)DVVMAATEPELLDDQEAK 1 1 0 0 0 Q99615 Q99615 Q99615 DNAJC7 DnaJ homolog subfamily C member 7 MULTI-MSMS 20240503_EX1_UM3_Neder016_SA_EXT00_ssABE_LPS_3L 3L 867.7368774414062 3 863.728009 2588.1622 0.13009 0.00011237 -0.39152 -0.00033816 -0.26142 -0.0002258 864.0623859572274 866.7337122073088 43.101 0.26624 43.109 42.98 43.247 0.0075607 390 49 11 0 0 0 9.3911E-14 4 49348 49258;49276;49348;49452 105.79 97.604 1 0.49863 0.6219 0 870080000 548230000 321850000 4 2091 1 1 8;9;10;11 10 5431 -0.06835578745904058 0.99756473 0.9775378 0.98704356
AAAAECDVVMAATEPELLDDQEAK 24 1 0 Acetyl (Protein N-term),Carbamidomethyl (C) _(Acetyl (Protein N-term))AAAAEC(Carbamidomethyl (C))DVVMAATEPELLDDQEAK_ AAAAEC(1)DVVMAATEPELLDDQEAK AAAAEC(120)DVVMAATEPELLDDQEAK 1 1 0 0 0 Q99615 Q99615 Q99615 DNAJC7 DnaJ homolog subfamily C member 7 MULTI-MSMS 20240503_EX1_UM3_Neder016_SA_EXT00_ssABE_LPS_4L 4L 866.397705078125 3 863.728009 2588.1622 0.057747 4.9878E-05 -0.24842 -0.00021456 -0.19067 -0.00016469 864.0627464556183 866.7336471749006 43.129 0.2677 43.1 42.971 43.239 -0.028801 449 49 14 0 0 0 2.6339E-17 3 50035 49997;50035;50218 116.35 112.38 1 0.53194 0.64098 0 892660000 520170000 372490000 5 2091 1 1 12;13;14 13 5431 -0.06835578745904058 0.9840865 0.93412495 0.98507833
AAAAECDVVMAATEPELLDDQEAK 24 1 0 Acetyl (Protein N-term),Carbamidomethyl (C) _(Acetyl (Protein N-term))AAAAEC(Carbamidomethyl (C))DVVMAATEPELLDDQEAK_ 1 1 0 0 0 Q99615 Q99615 Q99615 DNAJC7 DnaJ homolog subfamily C member 7 MULTI-MATCH-MSMS 20240503_EX1_UM3_Neder016_SA_EXT00_ssABE_LPS_2H 2H 3 863.728009 2588.1622 0.15049 0.00012998 0.88914 0.00076797 1.0396 0.00089795 864.0635036872925 867.0667820019896 43.121 0.40585 43.164 42.882 43.288 0.042629 0.036876 0.0028739 NaN 146.6 111 19 10 NaN NaN NaN NaN 0 NaN NaN 0 0.97454 0.75162 0 396910000 167520000 229390000 6 2091 1 1 5431 -0.06835578745904058 0.9052026 0.7470819 0.98216444
AAAGELQEDSGLCVLAR 17 0 1 Carbamidomethyl (C) _AAAGELQEDSGLC(Carbamidomethyl (C))VLAR_ AAAGELQEDSGLC(1)VLAR AAAGELQEDSGLC(120)VLAR 0 1 0 0 0 Q96C19 Q96C19 Q96C19 EFHD2 EF-hand domain-containing protein D2 ISO-MSMS 1 20240503_EX1_UM3_Neder016_SA_EXT00_ssABE_LPS_1H 1H 885.9425659179688 2 880.4358 1758.85705 NaN NaN 1.216 0.0010706 NaN NaN NaN NaN 31.062 0.13632 31.062 30.986 31.122 0 0 0 0 3.3709E-08 1 33563 33563 124.38 105.63 1 1.1028 1.0798 0 59546000 10308000 49238000 7 1976 2 2 15 15 5196 0.007973275442054728
AAAGELQEDSGLCVLAR 17 0 1 Carbamidomethyl (C) _AAAGELQEDSGLC(Carbamidomethyl (C))VLAR_ AAAGELQEDSGLC(1)VLAR AAAGELQEDSGLC(150)VLAR 0 1 0 0 0 Q96C19 Q96C19 Q96C19 EFHD2 EF-hand domain-containing protein D2 ISO-MSMS 0 20240503_EX1_UM3_Neder016_SA_EXT00_ssABE_LPS_1H 1H 880.4378662109375 2 880.4358 1758.85705 NaN NaN 2.3824 0.0020976 NaN NaN NaN NaN 31.062 0.15343 31.062 30.986 31.139 0 0 0 0 4.1384E-18 1 33568 33568 153.63 120.22 1 1.0504 1.0282 0 58578000 49118000 9459400 8 1976 2 2 16 16 5196 0.007973275442054728
AAAGELQEDSGLCVLAR 17 0 1 Carbamidomethyl (C) _AAAGELQEDSGLC(Carbamidomethyl (C))VLAR_ AAAGELQEDSGLC(1)VLAR AAAGELQEDSGLC(190)VLAR 0 1 0 0 0 Q96C19 Q96C19 Q96C19 EFHD2 EF-hand domain-containing protein D2 ISO-MSMS 0 20240503_EX1_UM3_Neder016_SA_EXT00_ssABE_LPS_2H 2H 880.93701171875 2 880.4358 1758.85705 NaN NaN 1.4704 0.0012946 NaN NaN NaN NaN 31.025 0.20426 31.056 30.941 31.145 0.030951 0 0 0 9.9727E-34 1 33667 33667 193.23 149.93 1 1.2284 0.94823 0 222380000 182080000 40299000 9 1976 2 2 17 17 5196 0.007973275442054728
AAAGELQEDSGLCVLAR 17 0 1 Carbamidomethyl (C) _AAAGELQEDSGLC(Carbamidomethyl (C))VLAR_ AAAGELQEDSGLC(1)VLAR AAAGELQEDSGLC(160)VLAR 0 1 0 0 0 Q96C19 Q96C19 Q96C19 EFHD2 EF-hand domain-containing protein D2 MULTI-MSMS 20240503_EX1_UM3_Neder016_SA_EXT00_ssABE_LPS_3L 3L 880.4379272460938 2 880.4358 1758.85705 -0.55893 -0.0004921 1.2957 0.0011408 0.73678 0.00064869 880.4377886211744 885.4394837697027 31.019 0.15361 31.025 30.949 31.102 0.0064545 38 8 6 0 0 0 3.6393E-21 2 33076 33076;33109 158.42 142.16 1 0.45146 0.53669 0 101040000 68420000 32617000 10 1976 2 2 18;19 18 5196 0.007973275442054728 0.9860144 0.9626761 0.9672731
AAAGELQEDSGLCVLAR 17 0 1 Carbamidomethyl (C) _AAAGELQEDSGLC(Carbamidomethyl (C))VLAR_ AAAGELQEDSGLC(1)VLAR AAAGELQEDSGLC(160)VLAR 0 1 0 0 0 Q96C19 Q96C19 Q96C19 EFHD2 EF-hand domain-containing protein D2 MULTI-MSMS 20240503_EX1_UM3_Neder016_SA_EXT00_ssABE_LPS_4L 4L 880.9375610351562 2 880.4358 1758.85705 -0.053245 -4.6879E-05 1.0659 0.00093849 1.0127 0.00089161 880.4374703295418 885.4410200265721 31.052 0.1711 31.026 30.931 31.102 -0.025961 31 9 5 0 0 0 4.1539999999999996E-22 2 33832 33832;33860 161.99 145.73 1 0.59892 0.65417 0 101190000 57855000 43335000 11 1976 2 2 20;21 20 5196 0.007973275442054728 0.9687632 0.9260208 0.92050904
AAAGGLAMLTSMRPTLCSR 19 0 2 Carbamidomethyl (C) _AAAGGLAMLTSMRPTLC(Carbamidomethyl (C))SR_ AAAGGLAMLTSMRPTLC(1)SR AAAGGLAMLTSMRPTLC(71)SR 0 1 0 0 0 Q9H3U1 Q9H3U1 Q9H3U1 UNC45A Protein unc-45 homolog A MULTI-MSMS 20240503_EX1_UM3_Neder016_SA_EXT00_ssABE_LPS_1H 1H 655.3345947265625 3 655.333995 1962.98016 0.22614 0.00014819 -0.79732 -0.00052251 -0.57118 -0.00037431 655.3348541600152 662.0062408998527 35.166 0.18781 35.166 35.057 35.245 0 30 10 5 0 0 0 4.7146E-06 1 39193 39193 70.942 61.154 1 0.76427 0.77784 0 68930000 47574000 21355000 12 2235 3 3 22 22 5724 0.03718544399453094 0.9709616 0.89091 0.73409986
AAAGGLAMLTSMRPTLCSR 19 0 2 Carbamidomethyl (C) _AAAGGLAMLTSMRPTLC(Carbamidomethyl (C))SR_ AAAGGLAMLTSMRPTLC(1)SR AAAGGLAMLTSMRPTLC(47)SR 0 1 0 0 0 Q9H3U1 Q9H3U1 Q9H3U1 UNC45A Protein unc-45 homolog A ISO-MSMS 1 20240503_EX1_UM3_Neder016_SA_EXT00_ssABE_LPS_2H 2H 662.3395385742188 3 655.333995 1962.98016 NaN NaN -2.0059 -0.0013146 NaN NaN NaN NaN 35.115 0.13616 35.15 35.096 35.232 0.035202 0 0 0 0.0041264 2 39452 39349;39452 47.09 37.56 1 1.3823 1.2947 0 90767000 11152000 79615000 13 2235 3 3 23;24 24 5724 0.03718544399453094
AAAGGLAMLTSMRPTLCSR 19 0 2 Carbamidomethyl (C) _AAAGGLAMLTSMRPTLC(Carbamidomethyl (C))SR_ AAAGGLAMLTSMRPTLC(1)SR AAAGGLAMLTSMRPTLC(62)SR 0 1 0 0 0 Q9H3U1 Q9H3U1 Q9H3U1 UNC45A Protein unc-45 homolog A ISO-MSMS 0 20240503_EX1_UM3_Neder016_SA_EXT00_ssABE_LPS_2H 2H 655.3341064453125 3 655.333995 1962.98016 NaN NaN 0.087673 5.7455E-05 NaN NaN NaN NaN 35.127 0.17039 35.163 35.079 35.249 0.035198 0 0 0 0.00036308 1 39386 39386 62.203 51.735 1 1.1373 1.0652 0 77364000 60786000 16578000 14 2235 3 3 25 25 5724 0.03718544399453094
AAAGGLAMLTSMRPTLCSR 19 0 2 Carbamidomethyl (C) _AAAGGLAMLTSMRPTLC(Carbamidomethyl (C))SR_ AAAGGLAMLTSMRPTLC(1)SR AAAGGLAMLTSMRPTLC(54)SR 0 1 0 0 0 Q9H3U1 Q9H3U1 Q9H3U1 UNC45A Protein unc-45 homolog A ISO-MSMS 0 20240503_EX1_UM3_Neder016_SA_EXT00_ssABE_LPS_3L 3L 655.3347778320312 3 655.333995 1962.98016 NaN NaN -0.78542 -0.00051472 NaN NaN NaN NaN 35.118 0.17038 35.125 35.036 35.206 0.0071106 0 0 0 0.00081684 1 38674 38674 54.288 44.092 1 0.72292 0.78508 0 50456000 44188000 6268100 15 2235 3 3 26 26 5724 0.03718544399453094
AAAGGLAMLTSMRPTLCSR 19 0 2 Carbamidomethyl (C) _AAAGGLAMLTSMRPTLC(Carbamidomethyl (C))SR_ AAAGGLAMLTSMRPTLC(1)SR AAAGGLAMLTSMRPTLC(73)SR 0 1 0 0 0 Q9H3U1 Q9H3U1 Q9H3U1 UNC45A Protein unc-45 homolog A ISO-MSMS 0 20240503_EX1_UM3_Neder016_SA_EXT00_ssABE_LPS_4L 4L 655.3331298828125 3 655.333995 1962.98016 NaN NaN -0.4585 -0.00030047 NaN NaN NaN NaN 35.158 0.18807 35.133 35.014 35.202 -0.02557 0 0 0 2.5876E-05 2 39443 39432;39443 72.819 56.392 1 0.76397 0.80266 0 57474000 49180000 8294500 16 2235 3 3 27;28 28 5724 0.03718544399453094
AAALCNACELSGK 13 1 0 Carbamidomethyl (C),NEM _AAALC(NEM)NAC(Carbamidomethyl (C))ELSGK_ AAALC(0.019)NAC(0.981)ELSGK AAALC(0.981)NAC(0.019)ELSGK AAALC(-17)NAC(17)ELSGK AAALC(17)NAC(-17)ELSGK 0 1 1 0 0 Q7Z392 Q7Z392 Q7Z392 TRAPPC11 Trafficking protein particle complex subunit 11 MSMS 1 20240503_EX1_UM3_Neder016_SA_EXT00_ssABE_LPS_2H 2H 720.8419799804688 2 716.831594 1431.64863 NaN NaN NaN NaN NaN NaN NaN NaN 26.89 1 26.917 26.417 27.417 0.027546 0 0 0 0.01341 1 27968 27968 51.927 38.573 2 17 1682 4 4 29 29 4579 981 -0.049923725737471614
AAANFFSASCVPCADQSSFPK 21 1 0 Carbamidomethyl (C),NEM _AAANFFSASC(Carbamidomethyl (C))VPC(NEM)ADQSSFPK_ AAANFFSASC(0.992)VPC(0.008)ADQSSFPK AAANFFSASC(0.008)VPC(0.992)ADQSSFPK AAANFFSASC(21)VPC(-21)ADQSSFPK AAANFFSASC(-21)VPC(21)ADQSSFPK 0 1 1 0 0 CON__Q29443;CON__Q0IIK2 CON__Q29443 CON__Q29443 ISO-MSMS 0 20240503_EX1_UM3_Neder016_SA_EXT00_ssABE_LPS_4L 4L 1165.51513671875 2 1165.51445 2329.01435 NaN NaN 0.18336 0.00021371 NaN NaN NaN NaN 37.455 0.18769 37.429 37.325 37.513 -0.0256 0 0 0 0.00030365 1 42622 42622 59.306 47.866 2 NaN NaN 0 5430200 5430200 0 + 18 49 5 5 30 30 152;153 38;39 -0.09699380698566529 ";
const MAXNOVO_ALL_PEPTIDES: &str = "Raw file Type Charge m/z Mass Uncalibrated m/z Number of data points Number of scans Number of isotopic peaks PIF Mass fractional part Mass deficit Mass precision [ppm] Max intensity m/z 0 Retention time Retention length Retention length (FWHM) Min scan number Max scan number Identified Reverse MS/MS IDs Sequence Length Modifications Modified sequence Proteins Score PEP Intensity Intensities Isotope pattern MS/MS count MSMS scan numbers MSMS isotope indices
20191211_F1_Ag5_peng0013_SA_Flag_aLP MULTI 5 350.01561 1745.0416 350.01565 16 12 2 0.0416484 0.19892921983910128 1.05616 350.2172145241101 1.24 4.22 0 225 238 -1 0 0 NaN 57668 0;9337.9931640625;21312.337890625;36678.4130859375;26592.7919921875;16208.697265625;39473.30078125;30305.001953125;33543.98095703125;16416.7890625;11963.7783203125;0;0;0 21312.337890625;25762.98828125 0
20191211_F1_Ag5_peng0013_SA_Flag_aLP MULTI 1 350.0104 349.00312 350.01044 7 5 2 0.00312388 -0.19741755881460676 4.43586 350.0135270849514 3.35 1.95 0 613 619 -1 0 0 NaN 18753 0;7147.2177734375;6013.173828125;6582.724609375;17979.5185546875;18232.8056640625;0 11799.3603515625;6808.876953125 0
20191211_F1_Ag5_peng0013_SA_Flag_aLP MULTI 1 350.01009 349.00281 350.01013 6 5 2 0.00281397 -0.19772732721435204 5.94185 350.0133224355637 5.16 1.96 0 945 952 -1 0 0 NaN 27150 0;6283.1103515625;6146.917236328125;6010.72412109375;26396.587890625;7606.13330078125;0 15850.865234375;10545.72265625 0
20191211_F1_Ag5_peng0013_SA_Flag_aLP MULTI 1 350.03923 349.03196 350.03931 10 9 2 0.0319567 -0.16859798233298307 0.52565 350.03949091310983 86.8 3.29 0 15293 15303 -1 0 0 NaN 18951 0;5622.4814453125;6309.94140625;15262.7421875;6006.23095703125;9164.976806640625;21617.173828125;23396.47412109375;13971.802734375;0;0 15262.7421875;13971.802734375 0
20191211_F1_Ag5_peng0013_SA_Flag_aLP MULTI 1 350.12721 349.11993 350.12725 6 4 2 0.119929 -0.08066620815185388 4.65035 350.13029777588594 1.71 1.63 0 314 320 -1 0 0 NaN 42008 0;40842.357421875;18386.4560546875;17631.111328125;8381.7080078125;0 23797.5;17044.857421875 0
20191211_F1_Ag5_peng0013_SA_Flag_aLP MULTI 1 350.12728 349.12001 350.12732 9 7 2 0.120007 -0.08058848071163993 3.68595 350.1303359565699 7.17 2.61 0 1315 1323 -1 0 0 NaN 23901 0;8555.515625;23872.5361328125;23238.0634765625;23937.5029296875;9146.503662109375;5652.96044921875;0;0 16178.6552734375;11297.4560546875 0
20191211_F1_Ag5_peng0013_SA_Flag_aLP MULTI 1 350.12722 349.11994 350.12726 5 3 2 0.119939 -0.0806560668990528 4.62413 350.130432534655 7.36 1.32 0 1350 1353 -1 0 0 NaN 18073 0;19473.05859375;24572.9775390625;14555.607421875;0 14555.607421875;12323.9833984375 0
20191211_F1_Ag5_peng0013_SA_Flag_aLP MULTI 6 351.00863 2100.0081 351.00868 6 3 2 0.0081486 0.00214485337073711 1.13626 351.1763774759373 4.9 1.31 0 898 901 -1 0 0 NaN 37304 0;13318.5341796875;11535.5966796875;23093.9970703125;0 10314.9609375;12779.0361328125 0
20191211_F1_Ag5_peng0013_SA_Flag_aLP MULTI 2 350.70302 699.39149 350.70306 9 6 2 0.391491 0.029770957730534064 0.593612 350.7030464026348 16.9 21.3 0 3088 3156 -1 0 0 NaN 2190200 0;2023820.625;953417.4375;376245.1796875;75862.625;91757.703125;68581.4609375;0 1694376.125;348192.4375 1 3120 0
20191211_F1_Ag5_peng0013_SA_Flag_aLP MULTI 5 351.42051 1752.0662 351.42057 16 10 2 0.0661706 0.22022020345252713 0.694248 351.42055796393106 40.2 34.2 0 7053 7143 -1 0 0 NaN 1868300 0;336652.28125;1022534.03125;1384441.515625;1404683.828125;671792.96875;1060518.5;560843.2734375;224633.15234375;56394.935546875;0;0 858774.1875;605708.8125;0 6 7082;7083;7091;7092;7117;7118 0;0;0;0;0;0
20191211_F1_Ag5_peng0013_SA_Flag_aLP MULTI 3 351.57727 1051.71 351.57732 10 5 2 0.709972 0.18618575674236126 0.389601 351.5771841577619 27.7 11.5 0 4920 4954 -1 0 0 NaN 9770100 0;1785418.125;9067772.25;8891774.25;3112577.125;2343179.1875;0 5455984;3045316.25;0 1 4940 0
20191211_F1_Ag5_peng0013_SA_Flag_aLP MULTI 3 351.57766 1051.7111 351.5777 23 11 3 0.711142 0.18735445876791346 0.321163 351.57762074582024 24.9 35.8 0 4436 4537 -1 0 0 NaN 44791000 0;19974281.5;17725792.5;7016111.125;5447105;20731966.75;50823793;11581007.34375;3511886.953125;756541.5;391709.40625;182043.5625;0 27129566;13326731;2894112;0 7 4455;4464;4487;4488;4508;4510;4521 0;0;0;0;0;0;0
20191211_F1_Ag5_peng0013_SA_Flag_aLP MULTI 3 351.57765 1051.7111 351.5777 20 7 3 0.711134 0.18734733166684236 0.269607 351.5776236126635 28.2 26.2 0 4988 5061 -1 0 0 NaN 9271300 0;459991.421875;4257668.359375;9785517.8125;5130388.03125;4980035.9375;3905307.59375;2905902.9375;0 5705966;2662328.75;604731.5625;0 5 5015;5039;5041;5047;5048 0;0;0;0;0
20191211_F1_Ag5_peng0013_SA_Flag_aLP MULTI 3 351.57773 1051.7114 351.57778 35 15 4 0.711358 0.18757067772821756 0.31926 351.57771731161625 26.6 47.6 0 4668 4792 -1 0 0 NaN 25088000 0;4675865.5;8003999;6672265;1855304;1366339.46875;877374.9375;3684397.71875;11775929.390625;19774920.3125;25837375.90625;26484602.28125;12319878.5625;2757423.2734375;462841.59375;343309.15625;0 15698752;6775837.5;2131202.25;454495.4375;0 12 4744;4745;4688;4690;4697;4705;4706;4714;4715;4763;4796;4797 -1;-1;0;0;0;0;0;0;0;0;0;0
20191211_F1_Ag5_peng0013_SA_Flag_aLP MULTI 4 351.42993 1401.6906 351.42998 5 4 2 0.690625 0.005847044199754237 1.39619 351.43009307163544 21.2 15.8 0 3836 3879 -1 0 0 NaN 248670 0;188189.2734375;144581.9765625;72175.208984375;0;0 144304.65625;57956.984375 0
20191211_F1_Ag5_peng0013_SA_Flag_aLP MULTI 2 351.21923 700.42391 351.2193 8 4 2 0.423912 0.06171727805372029 0.53177 351.21921707862157 62.3 15.4 0 10751 10793 -1 0 0 NaN 391670 0;82644.138671875;177388.5859375;271574.6328125;361910.046875;0 280060.5625;92702.6953125 1 10786 0
20191211_F1_Ag5_peng0013_SA_Flag_aLP MULTI 3 351.55341 1051.6384 351.55346 12 9 2 0.638391 0.1146374617192123 0.748712 351.553112177451 40.9 31 0 7143 7231 -1 0 0 NaN 869460 0;70935.71875;151065.15625;231194.59375;407429.484375;797351.75;722055.671875;545444.875;385266.4375;0;0 473852.8125;410502.84375 0
20191211_F1_Ag5_peng0013_SA_Flag_aLP MULTI 7 351.79384 2455.506 351.7939 9 6 2 0.505964 0.3364310453453072 0.900297 351.9368219206528 41.5 21.4 0 7285 7347 -1 0 0 NaN 6482100 0;2584845.09375;1037172.90625;530247.5;3573214.75;978890.28125;0;0 1170109.25;2403105.5 2 7302;7303 1;1
20191211_F1_Ag5_peng0013_SA_Flag_aLP MULTI 7 351.79444 2455.5101 351.7945 30 13 3 0.510135 0.3406001143443973 0.457802 351.9377634691524 42.1 43.5 0 7365 7493 -1 0 0 NaN 6124200 0;52366.625;143174.6328125;515500.1484375;1307091.5;1780284.046875;4441675.625;4825911.625;3835015.5625;3204065.5625;1162010.8984375;987661.53125;119936.3125;66309.5625;0 1237734.25;2310941.75;2181815.75 5 7411;7412;7438;7429;7430 0;0;0;1;1";