mzident 0.2.0

Handle all kinds of PSM files.
Documentation
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#![allow(clippy::missing_panics_doc)]
use std::io::BufReader;

use crate::{NovorPSM, NovorVersion, TestSettings, test_format};

#[test]
fn novor_old_denovo() {
    match test_format::<NovorPSM>(
        BufReader::new(DATA_OLD_DENOVO.as_bytes()),
        &mzcore::ontology::STATIC_ONTOLOGIES,
        TestSettings::default(),
        Some(NovorVersion::OldDenovo),
    ) {
        Ok(n) => assert_eq!(n, 20),
        Err(e) => {
            println!("{e}");
            panic!("Failed PSMs test");
        }
    }
}

#[test]
fn novor_denovo_202306() {
    match test_format::<NovorPSM>(
        BufReader::new(DATA_DENOVO_202306.as_bytes()),
        &mzcore::ontology::STATIC_ONTOLOGIES,
        TestSettings::default(),
        Some(NovorVersion::OldDenovo),
    ) {
        Ok(n) => assert_eq!(n, 25),
        Err(e) => {
            println!("{e}");
            panic!("Failed PSMs test");
        }
    }
}

#[test]
fn novor_psm_202305() {
    match test_format::<NovorPSM>(
        BufReader::new(DATA_PSM_202305.as_bytes()),
        &mzcore::ontology::STATIC_ONTOLOGIES,
        TestSettings::default(),
        Some(NovorVersion::PSM202305),
    ) {
        Ok(n) => assert_eq!(n, 25),
        Err(e) => {
            println!("{e}");
            panic!("Failed PSMs test");
        }
    }
}

#[test]
fn novor_psm_202308() {
    match test_format::<NovorPSM>(
        BufReader::new(DATA_PSM_202308.as_bytes()),
        &mzcore::ontology::STATIC_ONTOLOGIES,
        TestSettings::default(),
        Some(NovorVersion::PSM202308),
    ) {
        Ok(n) => assert_eq!(n, 24),
        Err(e) => {
            println!("{e}");
            panic!("Failed PSMs test");
        }
    }
}

#[test]
fn novor_new_denovo() {
    match test_format::<NovorPSM>(
        BufReader::new(DATA_NEW_DENOVO.as_bytes()),
        &mzcore::ontology::STATIC_ONTOLOGIES,
        TestSettings::default(),
        Some(NovorVersion::NewDenovo),
    ) {
        Ok(n) => assert_eq!(n, 20),
        Err(e) => {
            println!("{e}");
            panic!("Failed PSMs test");
        }
    }
}

#[ignore = "this format has a weird header"]
#[test]
fn novor_denovo_v3_40() {
    match test_format::<NovorPSM>(
        BufReader::new(DATA_V3_40_DENOVO.as_bytes()),
        &mzcore::ontology::STATIC_ONTOLOGIES,
        TestSettings::default(),
        Some(NovorVersion::NewDenovo),
    ) {
        Ok(n) => assert_eq!(n, 25),
        Err(e) => {
            println!("{e}");
            panic!("Failed PSMs test");
        }
    }
}

#[ignore = "this format has a weird header"]
#[test]
fn novor_peps_v3_40() {
    match test_format::<NovorPSM>(
        BufReader::new(DATA_V3_40_PEPS.as_bytes()),
        &mzcore::ontology::STATIC_ONTOLOGIES,
        TestSettings::default(),
        Some(NovorVersion::NewDenovo),
    ) {
        Ok(n) => assert_eq!(n, 25),
        Err(e) => {
            println!("{e}");
            panic!("Failed PSMs test");
        }
    }
}

#[test]
fn novor_new_psm() {
    match test_format::<NovorPSM>(
        BufReader::new(DATA_NEW_PSM.as_bytes()),
        &mzcore::ontology::STATIC_ONTOLOGIES,
        TestSettings::default(),
        Some(NovorVersion::NewPSM),
    ) {
        Ok(n) => assert_eq!(n, 19),
        Err(e) => {
            println!("{e}");
            panic!("Failed PSMs test");
        }
    }
}

#[test]
fn novor_psm_v3_40() {
    match test_format::<NovorPSM>(
        BufReader::new(DATA_V3_40_PSM.as_bytes()),
        &mzcore::ontology::STATIC_ONTOLOGIES,
        TestSettings::default(),
        Some(NovorVersion::NewPSM),
    ) {
        Ok(n) => assert_eq!(n, 26),
        Err(e) => {
            println!("{e}");
            panic!("Failed PSMs test");
        }
    }
}

#[test]
fn novor_psm_v4_66() {
    match test_format::<NovorPSM>(
        BufReader::new(DATA_PSM_V4_66.as_bytes()),
        &mzcore::ontology::STATIC_ONTOLOGIES,
        TestSettings::default(),
        Some(NovorVersion::PSM202305),
    ) {
        Ok(n) => assert_eq!(n, 25),
        Err(e) => {
            println!("{e}");
            panic!("Failed PSMs test");
        }
    }
}

const DATA_OLD_DENOVO: &str = r"Fraction,Scan #,m/z,z,Score,Peptide Mass,Error (ppm),Length,De Novo Peptide,DB Sequence
F1,18017,553.821533203125,2,97.9,1105.6284,0.1,9,LLLFWASTR,
F1,16407,561.81787109375,2,97.8,1121.6233,-1.9,9,LLLYWASTR,LLIYWASTR
F1,15003,454.247955322266,2,97.5,906.4811,0.3,8,DGFLQSLK,N(Deamidated)GFIQSLK
F1,16683,561.81884765625,2,97.4,1121.6233,-0.2,9,LLLYWASTR,LLIYWASTR
F1,7242,380.184997558594,2,96.9,758.3559,-0.6,7,ESGVPDR,ESGVPDR
F1,7490,380.184967041016,2,96.9,758.3559,-0.7,7,ESGVPDR,ESGVPDR
F1,9191,389.220947265625,2,96.9,776.428,-0.8,7,ELSSLTK,
F1,6345,391.741821289063,2,96.8,781.4698,-0.9,7,VDKPVPK,
F1,7346,399.852203369141,3,96.7,1196.5357,-0.7,9,SFQRSEC(Cam)QR,
F1,13671,565.310729980469,2,96.6,1128.6027,3.8,9,LVELEEELR,IVELEEELR
F1,11334,470.265930175781,2,96.6,938.5185,-1.3,8,QLPSPLER,
F1,11217,453.71923828125,2,96.4,905.4243,-0.4,8,ESGVPDFR,
F1,15375,577.813537597656,2,96.3,1153.6165,-3.5,10,LLLYSMTGTR,
F1,9423,438.734649658203,2,96.1,875.4535,1.4,8,MVTVPSSR,
F1,14966,619.295288085938,2,95.9,1236.575,0.8,9,TSYWMHWVK,TSYWMHWVK
F1,11965,451.720794677734,2,95.8,901.4269,0.2,6,WM(O)HWVK,
F1,7806,464.2369,2,95.8,926.457,2.4,8,PNLNADQR,
F1,13719,451.720458984375,2,95.7,901.4269,-0.6,6,WM(O)HWVK,
F1,9345,496.262512207031,2,95.6,990.5094,1.1,9,SSQSLLNSR,
F1,9309,409.229461669922,2,95.6,816.4454,-1.2,7,QSLLNSR,";

const DATA_DENOVO_202306: &str = r"Fraction,Scan #,m/z,z,Score,Peptide Mass,Error (ppm),Length,De Novo Peptide,DB Sequence
F1,10753,474.747711,2,98.2,947.4753,5.9,8,GSFFLYSK,GSFFLYSK
F1,4621,390.700242,2,97.6,779.3814,5.8,7,SGFNLKD,
F1,4164,377.708842,2,97.4,753.4021,1.4,7,VVVDVSH,VVVDVSH
F1,8411,392.717224,2,97.4,783.4167,4.1,6,LVKDYF,LVKDYF
F1,5477,391.191376,2,97.3,780.3654,3.6,7,SGFDLKD,
F1,5732,391.192047,2,97.3,780.3654,5.3,7,SGFDLKD,
F1,12666,483.805084,2,97.3,965.591,4.8,9,VVSVLTVLH,VVSVLTVLH
F1,9577,402.720001,2,96.9,803.4218,4.6,6,FFLYSK,FFLYSK
F1,10699,446.235458,2,96.8,890.4538,2.9,7,SFFLYSK,SFFLYSK
F2,3764,382.223,3,96.8,1143.64,6.2,9,REAKVEWKV,REAKVQ(Deamidated)WKV
F1,7028,498.247803,2,96.7,994.476,5.1,8,AVAWYEEK,LQWYEEK
F1,4028,377.154083,2,96.7,752.2898,5.0,6,DLEM(O)TE,
F1,3285,378.222443,3,96.7,1131.64,4.8,9,KLTVDKSRW,KLTVDKSRW
F1,6913,429.686348,2,96.7,857.3477,12.2,7,TAYLEM(O)D,
F1,11051,446.236655,2,96.6,890.4538,5.5,7,SFFLYSK,SFFLYSK
F1,9753,523.252175,2,96.6,1044.4764,12.8,9,SGFDLKDTY,
F1,3672,385.671753,2,96.6,769.3242,6.1,7,DGVEVHD,DGVEVHN(Deamidated)
F1,3582,382.2225,3,96.5,1143.64,4.9,9,REAKVEWKV,REAKVQ(Deamidated)WKV
F1,13479,525.295593,2,96.5,1048.5706,5.8,8,LEWVARLY,
F1,1479,384.86264,3,96.4,1151.5611,4.3,9,DYEKHKVYA,DYEKHKVYA
F1,1657,408.542511,3,96.4,1222.5982,6.1,10,DAYEKHKVYA,ADYEKHKVYA
F1,16826,498.204315,2,96.4,994.3895,4.6,7,FYAMDYW,
F1,6948,436.740508,2,96.4,871.4651,1.6,9,PAVLESSGL,PAVLQ(Deamidated)SSGL
F1,3844,458.908615,3,96.4,1373.6939,7.3,11,REAKVEWKVDD,REAKVQ(Deamidated)WKVDN(Deamidated)
F2,13162,463.596524,3,96.4,1387.7612,4.7,12,GKGLEWVARLYP,";

const DATA_PSM_202305: &str = r##"ID,Fraction,Scan #,m/z,z,Score,Mass,Error (ppm),"# Proteins",Sequence
P0001-1,1,5810,613.721924,5.0,16.7645,3063.5513,7.2,2,AKTKPREEQ(Deamidated)YN(Deamidated)STYRVVSVLTVLHQ(Deamidated)D
P0001-224,3,12432,613.7214,5.0,9.7837,3063.5513,6.3,2,AKTKPREEQ(Deamidated)YN(Deamidated)STYRVVSVLTVLHQ(Deamidated)D
P0001-2325,3,11980,766.903076,4.0,6.2686,3063.5513,10.4,2,AKTKPREEQ(Deamidated)YN(Deamidated)STYRVVSVLTVLHQ(Deamidated)D
P0001-34,2,12225,613.7218,5.0,11.9358,3063.5513,6.9,2,AKTKPREEQ(Deamidated)YN(Deamidated)STYRVVSVLTVLHQ(Deamidated)D
P0001-4082,2,11766,766.901733,4.0,4.7579,3063.5513,8.6,2,AKTKPREEQ(Deamidated)YN(Deamidated)STYRVVSVLTVLHQ(Deamidated)D
P0001-474,1,5615,766.901733,4.0,8.8582,3063.5513,8.6,2,AKTKPREEQ(Deamidated)YN(Deamidated)STYRVVSVLTVLHQ(Deamidated)D
P0001-5,3,12430,766.906067,4.0,14.5887,3063.5513,14.3,2,AKTKPREEQ(Deamidated)YN(Deamidated)STYRVVSVLTVLHQ(Deamidated)D
P0001-84,2,12298,766.902222,4.0,10.879,3063.5513,9.3,2,AKTKPREEQ(Deamidated)YN(Deamidated)STYRVVSVLTVLHQ(Deamidated)D
P0002-02,1,5237,633.913879,5.0,16.1591,3164.5091,7.5,2,PEVKFN(Deamidated)WYVDGVEVHN(Deamidated)AKTKPREEQ(Deamidated)Y
P0002-1185,3,11194,792.141663,4.0,7.4895,3164.5091,9.0,2,PEVKFN(Deamidated)WYVDGVEVHN(Deamidated)AKTKPREEQ(Deamidated)Y
P0002-12,1,5503,633.9142,5.0,12.839,3164.5091,8.1,2,PEVKFN(Deamidated)WYVDGVEVHN(Deamidated)AKTKPREEQ(Deamidated)Y
P0002-1645,2,10981,633.911987,5.0,6.9832,3164.5091,4.6,2,PEVKFN(Deamidated)WYVDGVEVHN(Deamidated)AKTKPREEQ(Deamidated)Y
P0002-1683,2,11038,528.4305,6.0,6.939,3164.5091,9.5,2,PEVKFN(Deamidated)WYVDGVEVHN(Deamidated)AKTKPREEQ(Deamidated)Y
P0002-2445,1,5492,792.141052,4.0,6.137,3164.5091,8.2,2,PEVKFN(Deamidated)WYVDGVEVHN(Deamidated)AKTKPREEQ(Deamidated)Y
P0002-252,2,11566,633.908813,5.0,9.6196,3164.5091,-0.4,2,PEVKFN(Deamidated)WYVDGVEVHN(Deamidated)AKTKPREEQ(Deamidated)Y
P0002-295,3,11183,633.913452,5.0,9.4674,3164.5091,6.9,2,PEVKFN(Deamidated)WYVDGVEVHN(Deamidated)AKTKPREEQ(Deamidated)Y
P0002-4834,3,11774,792.142761,4.0,4.0765,3164.5091,10.4,2,PEVKFN(Deamidated)WYVDGVEVHN(Deamidated)AKTKPREEQ(Deamidated)Y
P0002-714,3,11784,633.913757,5.0,8.2951,3164.5091,7.4,2,PEVKFN(Deamidated)WYVDGVEVHN(Deamidated)AKTKPREEQ(Deamidated)Y
P0002-725,3,11219,528.4308,6.0,8.2728,3164.5091,10.1,2,PEVKFN(Deamidated)WYVDGVEVHN(Deamidated)AKTKPREEQ(Deamidated)Y
P0003-03,1,5772,590.7144,5.0,15.8017,2948.5244,3.8,2,AKTKPREEQ(Deamidated)YN(Deamidated)STYRVVSVLTVLHQ(Deamidated)
P0003-123,2,12128,738.1419,4.0,10.4581,2948.5244,4.8,2,AKTKPREEQ(Deamidated)YN(Deamidated)STYRVVSVLTVLHQ(Deamidated)
P0003-40,1,5564,738.140625,4.0,11.7434,2948.5244,3.1,2,AKTKPREEQ(Deamidated)YN(Deamidated)STYRVVSVLTVLHQ(Deamidated)
P0003-429,3,11858,590.7145,5.0,8.9582,2948.5244,4.0,2,AKTKPREEQ(Deamidated)YN(Deamidated)STYRVVSVLTVLHQ(Deamidated)
P0003-43,2,12119,590.7159,5.0,11.6744,2948.5244,6.4,2,AKTKPREEQ(Deamidated)YN(Deamidated)STYRVVSVLTVLHQ(Deamidated)
P0003-5163,2,11681,590.7141,5.0,3.7427,2948.5244,3.3,2,AKTKPREEQ(Deamidated)YN(Deamidated)STYRVVSVLTVLHQ(Deamidated)"##;

const DATA_PSM_202308: &str = r##"ID,Fraction,Scan,m/z,z,Score,Mass,Error (ppm),"# Proteins",Sequence
P001-001,1,14926,1041.009277,4,28.3276,4160.0033,1.1,2,VQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSK
P001-002,1,8706,1041.006592,4,26.7305,4160.0033,-1.5,2,VQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSK
P001-003,1,8448,1041.009033,4,26.3515,4160.0033,0.9,2,VQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSK
P001-004,1,9163,1041.008805,4,25.8541,4160.0033,0.7,2,VQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSK
P001-005,1,8425,833.007507,5,25.2474,4160.0033,-0.5,2,VQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSK
P001-006,1,9270,1041.006363,4,25.1061,4160.0033,-1.7,2,VQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSK
P001-007,1,13972,1041.006348,4,22.4128,4160.0033,-1.7,2,VQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSK
P001-008,1,9322,1041.009309,4,22.3285,4160.0033,1.2,2,VQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSK
P001-009,1,14102,1041.006226,4,22.2826,4160.0033,-1.8,2,VQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSK
P001-010,1,8922,1041.008301,4,22.0012,4160.0033,0.2,2,VQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSK
P001-011,1,14165,1041.00769,4,21.574,4160.0033,-0.4,2,VQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSK
P001-012,1,11914,1041.006836,4,21.069,4160.0033,-1.2,2,VQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSK
P001-013,1,14033,1041.005615,4,21.0137,4160.0033,-2.4,2,VQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSK
P001-014,1,9400,1041.006348,4,20.7934,4160.0033,-1.7,2,VQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSK
P001-015,1,13912,1041.006836,4,20.7621,4160.0033,-1.2,2,VQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSK
P001-016,1,14287,1041.008423,4,20.6288,4160.0033,0.3,2,VQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSK
P001-017,1,12758,1041.005981,4,20.6004,4160.0033,-2.0,2,VQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSK
P001-018,1,9009,1041.007568,4,20.5662,4160.0033,-0.5,2,VQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSK
P001-019,1,9491,1041.006348,4,20.4954,4160.0033,-1.7,2,VQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSK
P001-020,1,11424,1041.006836,4,20.4015,4160.0033,-1.2,2,VQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSK
P001-021,1,15018,1041.006104,4,20.1042,4160.0033,-1.9,2,VQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSK
P001-022,1,11801,1041.0087,4,20.0406,4160.0033,0.6,2,VQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSK
P001-023,1,8365,833.007507,5,19.9244,4160.0033,-0.5,2,VQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSK
P001-024,1,9640,1041.010132,4,19.9237,4160.0033,1.9,2,VQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSK"##;

const DATA_NEW_DENOVO: &str = r"# id, scanNum, RT, mz(data), z, pepMass(denovo), err(data-denovo), ppm(1e6*err/(mz*z)), score, peptide, aaScore
0, 10234, 3058.1, 706.3292, 4, 2821.2907, -0.0032, -1.1, 24.8, MM(O)EKGPHTLNSPGRGMFM(O)TTLLDPE, 11-15-39-35-2-4-3-1-5-44-2-1-6-3-2-34-46-6-1-3-37-57-68-79-91
1, 8236, 2472.1, 543.2781, 3, 1626.8154, -0.0029, -1.8, 73.1, DLAPGTYLHWVREA, 25-53-25-3-43-52-94-96-99-94-98-97-90-90
2, 1846, 587.9, 446.7351, 2, 891.4491, 0.0065, 7.3, 40.9, FLWANEL, 69-42-63-79-8-24-1
3, 6786, 2051.4, 394.6718, 2, 787.3244, 0.0046, 5.8, 58.1, TYM(O)NML, 90-94-27-13-32-99
4, 13791, 4112.9, 671.0255, 3, 2010.0496, 0.0049, 2.4, 37.6, VSYASVVALLTTLHCAYTV, 18-1-28-2-43-44-25-1-3-71-63-35-57-76-3-3-62-60-70
5, 1193, 387.7, 433.2311, 2, 864.4415, 0.0060, 7.0, 50.1, TKMPEFL, 73-80-88-15-2-6-99
6, 4089, 1266.8, 550.6080, 3, 1648.8110, -0.0088, -5.3, 47.8, LPHPWATHDVDHPK, 49-52-37-2-1-1-1-6-80-89-98-99-85-82
7, 13600, 4054.7, 489.2448, 2, 976.4866, -0.0115, -11.7, 48.6, FADPQLSSL, 57-33-1-4-25-96-62-58-99
8, 7476, 2251.5, 507.2335, 3, 1518.6885, -0.0100, -6.6, 59.5, SVVGTHMHEVTHAD, 55-58-58-46-1-1-32-30-96-93-98-99-99-93
9, 6088, 1841.9, 574.9354, 3, 1721.7728, 0.0116, 6.7, 38.5, TAALGMDFVM(O)CWHKP, 78-85-72-99-73-21-1-1-1-1-2-74-99-8-2
10, 8861, 2652.9, 498.9156, 3, 1493.7184, 0.0064, 4.3, 74.2, DKTAYLEMAPERA, 36-79-99-99-99-99-99-85-88-1-2-92-90
11, 10093, 3017.3, 581.8321, 2, 1161.6434, 0.0062, 5.4, 43.9, PGSVFLFPVSL, 4-6-29-62-85-98-92-44-1-1-1
12, 8021, 2410.0, 411.5299, 3, 1231.5656, 0.0022, 1.8, 45.4, ESYLHCPVRE, 10-10-80-98-80-1-1-26-34-82
13, 7196, 2170.5, 537.5913, 3, 1609.7559, -0.0039, -2.4, 56.3, SLRLSECHSYYVPG, 62-85-95-97-76-11-1-1-32-67-87-87-51-3
14, 14034, 4187.9, 531.2891, 2, 1060.5627, 0.0010, 0.9, 59.4, LASVMLFPPS, 25-26-25-15-22-91-99-89-95-99
15, 14076, 4201.0, 759.3683, 3, 2275.0575, 0.0256, 11.2, 26.9, M(O)VDM(O)AGVLVCKGFYPSDLAVE, 12-32-1-1-4-1-1-6-2-36-32-17-28-54-3-3-42-80-48-47-87
16, 2935, 918.8, 572.8251, 2, 1143.6288, 0.0069, 6.0, 42.0, SGKWLPETKV, 15-7-49-37-31-89-2-1-91-91
17, 8699, 2605.9, 498.6289, 5, 2488.1052, 0.0030, 1.2, 45.4, DVFSPCANHVVWMHEALHNDPA, 43-45-77-3-4-21-25-47-50-34-55-52-55-63-59-50-63-59-31-49-53-16
18, 7042, 2125.7, 497.7650, 4, 1987.0064, 0.0245, 12.3, 46.8, SFFLQHLNKAGPASRWE, 40-86-98-93-22-1-1-11-1-2-7-1-15-79-70-88-89
19, 11745, 3499.8, 558.0223, 4, 2228.0651, -0.0050, -2.2, 21.4, VKFDWYVNPNGHVVSGGEGPA, 18-4-44-53-44-28-25-24-3-1-6-1-3-43-4-2-6-46-54-3-3";

const DATA_NEW_PSM: &str = r"#id, spectraId, scanNum, RT, mz, z, pepMass, err, ppm, score, protein, start, length, origin, peptide, noPTMPeptide, aac, allProteins
1, 14, 14034, 4187.9, 531.2891, 2, 1060.5593, 0.0044, 4.1, 2.3662, 6, 5, 10, APSVFIFPPS, APSVFIFPPS, APSVFIFPPS, 2-5-17-18-23-52-52-52-38-37, 5@6;112@7
2, 20, 9784, 2928.1, 429.2599, 3, 1284.7554, 0.0024, 1.9, 5.3597, 1, 183, 11, YRVVSVLTVLH, YRVVSVLTVLH, YRVVSVLTVLH, 36-37-52-52-43-52-52-52-42-44-44, 183@1;302@2;180@4
3, 21, 4244, 1311.6, 452.5754, 3, 1354.6980, 0.0063, 4.6, 6.1235, 6, 70, 12, STLTLSKADYEK, STLTLSKADYEK, STLTLSKADYEK, 36-44-33-52-48-52-35-43-38-39-36-28, 70@6;177@7
4, 24, 5873, 1780.7, 446.9401, 3, 1337.7919, 0.0065, 4.9, 6.0435, 1, 210, 13, ALPAPIEKTISKA, ALPAPIEKTISKA, ALPAPIEKTISKA, 33-37-32-33-17-24-52-48-52-37-33-52-29, 210@1;329@2;203@8
5, 32, 12831, 3828.9, 591.7968, 2, 1181.5757, 0.0034, 2.8, 3.3047, 1, 154, 9, PEVKFNWYV, PEVKFN(Deamidated)WYV, PEVKFNWYV, 44-40-52-40-38-40-52-52-44, 154@1;273@2
6, 34, 302, 100.1, 401.9044, 3, 1202.6871, 0.0042, 3.5, 2.8449, 4, 212, 11, IEKTISKAKGQ, IEKTISKAKGQ(Deamidated), IEKTISKAKGQ, 22-20-22-52-3-10-7-45-52-48-29, 212@4;215@1;334@2
7, 36, 5985, 1813.0, 485.7864, 2, 969.5535, 0.0047, 4.8, 2.8170, 13, 288, 8, FLYSKLTV, FLYSKLTV, FLYSKLTV, 44-44-32-52-18-3-10-16, 288@13;335@5;288@1;284@3;407@2;287@43
8, 42, 4010, 1243.8, 520.5062, 4, 2077.9891, 0.0067, 3.2, 3.5192, 6, 79, 18, YEKHKVYACEVTHQGLSS, YEKHKVYACEVTHQGLSS, YEKHKVYACEVTHQGLSS, 21-11-32-42-32-32-24-21-9-7-9-14-5-6-3-5-4-18, 79@6;186@7
9, 43, 10443, 3118.7, 503.2653, 3, 1506.7606, 0.0135, 8.9, 5.5589, 6, 7, 13, SVFIFPPSDEQLK, SVFIFPPSDEQ(Deamidated)LK, SVFIFPPSDEQLK, 36-44-52-52-52-52-26-30-35-52-52-29-30, 7@6;114@7
10, 47, 2780, 872.3, 618.3141, 2, 1234.6081, 0.0055, 4.4, 4.2817, 1, 274, 11, YKTTPPVLDSD, YKTTPPVLDSD, YKTTPPVLDSD, 32-32-2-2-38-27-43-52-35-32-39, 274@1;393@2;271@4
11, 54, 10063, 3008.6, 528.7844, 4, 2111.0952, 0.0133, 6.3, 9.0608, 2, 32, 18, YTIHWVRQAPGKGLEWVA, YTIHWVRQ(Deamidated)APGKGLEWVA, YTIHWVRQAPGKGLEWVA, 19-38-25-29-39-33-52-52-27-32-33-52-36-39-52-34-31-37, 32@2
12, 57, 4199, 1298.6, 434.7617, 2, 867.5066, 0.0023, 2.6, 2.9065, 1, 212, 8, PAPIEKTI, PAPIEKTI, PAPIEKTI, 44-44-33-32-27-52-28-32, 212@1;331@2;205@8;210@13;259@5;208@3;206@76;206@77
13, 58, 3296, 1033.3, 414.5737, 3, 1240.6928, 0.0064, 5.1, 4.2274, 6, 34, 10, PREAKVQWKV, PREAKVQ(Deamidated)WKV, PREAKVQWKV, 37-37-40-52-40-45-52-52-40-25, 34@6;141@7
14, 66, 3836, 1193.3, 472.6027, 3, 1414.7820, 0.0043, 3.0, 6.7772, 1, 3, 14, TKGPSVFPLAPSSK, TKGPSVFPLAPSSK, TKGPSVFPLAPSSK, 44-31-15-22-10-25-52-52-38-36-44-37-45-44, 3@1;122@2
15, 79, 8566, 2567.4, 504.2584, 2, 1006.4971, 0.0051, 5.1, 2.6684, 3, 52, 10, TFPAVLQSSG, TFPAVLQ(Deamidated)SSG, TFPAVLQSSG, 29-37-52-34-36-38-35-1-2-1, 52@3;52@4;52@1;171@2;52@5
16, 83, 2920, 914.4, 585.5712, 4, 2338.2533, 0.0025, 1.1, 4.3492, 1, 212, 21, PAPIEKTISKAKGQPREPQVY, PAPIEKTISKAKGQ(Deamidated)PREPQ(Deamidated)VY, PAPIEKTISKAKGQPREPQVY, 44-13-6-20-33-6-5-32-32-19-24-23-25-4-20-27-6-17-28-28-27, 212@1;331@2
17, 90, 1299, 420.4, 394.2071, 3, 1179.5884, 0.0110, 9.3, 4.4532, 6, 95, 11, SSPVTKSFNRG, SSPVTKSFN(Deamidated)RG, SSPVTKSFNRG, 36-44-25-28-18-33-52-31-52-33-22, 95@6;202@7
18, 100, 7456, 2245.7, 444.5684, 3, 1330.6769, 0.0065, 4.9, 4.1649, 6, 38, 11, KVQWKVDNALQ, KVQ(Deamidated)WKVDN(Deamidated)ALQ(Deamidated), KVQWKVDNALQ, 44-37-52-32-52-40-39-52-52-24-39, 38@6;145@7
19, 105, 4125, 1277.3, 523.2606, 4, 2089.0004, 0.0130, 6.2, 1.8430, 74, 543, 18, EKVTDILDVWFDSGVTHE, EKVTDILDVWFDSGVTHE, EKVTDILDVWFDSGVTHE, 36-44-4-1-7-8-3-6-5-7-8-7-3-2-33-30-26-27, 543@74;543@75";

/// A .txt file so that might provide some issues
const DATA_V3_40_PEPS: &str = r"# VERSION 1.15.8
# Confident target+deocy = 5209
line, target/decoy, nDecoy, specId, scanNum, mz, z, ppm, score, peptide, protein
    1, target,     0, 11786, 22443,  1207.246, 3,   4.2,  17.4495, VDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSK, >D304_PRK5_UTRs_of_pTwist_C4_LC_kappa_DENV_mab  (6
    2, target,     0, 13484, 18267,   734.171, 5,   2.8,  16.4832, AGVETTTPSKQSNNKYAASSYLSLTPEQWKSHR, >D310_PRK5_UTRs_of_pTwist_B7_LC_lambda_DENV_mab  (
    3, target,     0, 33199, 21492,   802.161, 4,   1.4,  16.3448, SLSSVVTVPSSSLGTQTYIC(Cam)NVNHKPSNTK, >D298_PRK5_UTRs_of_pTwist_C10_HC_DENV_mab  (7466 b
    4, target,     0, 34184, 28255,   834.419, 4,   3.2,  16.3308, SC(Cam)DKTHTC(Cam)PPC(Cam)PAPELLGGPSVFLFPPKPK, >D298_PRK5_UTRs_of_pTwist_C10_HC_DENV_mab  (7466 b
    5, target,     0, 19503, 27753,  1112.217, 3,  -1.9,  15.6546, SC(Cam)DKTHTC(Cam)PPC(Cam)PAPELLGGPSVFLFPPKPK, >D298_PRK5_UTRs_of_pTwist_C10_HC_DENV_mab  (7466 b
    6, target,     0, 10549, 27987,   760.370, 5,   2.2,  15.0944, TPEVTC(Cam)VVVDVSHEDPEVKFNWYVDGVEVHNAK, >D298_PRK5_UTRs_of_pTwist_C10_HC_DENV_mab  (7466 b
    7, target,     0, 40524, 27996,   950.210, 4,   2.2,  14.7614, TPEVTC(Cam)VVVDVSHEDPEVKFNWYVDGVEVHNAK, >D298_PRK5_UTRs_of_pTwist_C10_HC_DENV_mab  (7466 b
    8, target,     0,  2404, 28933,   834.417, 4,   1.3,  14.6341, SC(Cam)DKTHTC(Cam)PPC(Cam)PAPELLGGPSVFLFPPKPK, >D298_PRK5_UTRs_of_pTwist_C10_HC_DENV_mab  (7466 b
    9, target,     0, 19793, 27586,   834.417, 4,   0.6,  14.5524, SC(Cam)DKTHTC(Cam)PPC(Cam)PAPELLGGPSVFLFPPKPK, >D298_PRK5_UTRs_of_pTwist_C10_HC_DENV_mab  (7466 b
   10, target,     0, 20726, 25854,   885.452, 4,   0.5,  14.4122, GLYSLSSVVTVPSSSLGTQTYIC(Cam)NVNHKPSNTK, >D298_PRK5_UTRs_of_pTwist_C10_HC_DENV_mab  (7466 b
   11, target,     0, 15649, 18750,  1002.507, 3,   1.9,  14.3519, SSVVTVPSSSLGTQTYIC(Cam)NVNHKPSNTK, >D298_PRK5_UTRs_of_pTwist_C10_HC_DENV_mab  (7466 b
   12, target,     0, 38970, 16995,   552.855, 5,   2.0,  14.1857, WQQGNVFSCSVM(O)HEALHNHYTQK, >D298_PRK5_UTRs_of_pTwist_C10_HC_DENV_mab  (7466 b
   13, target,     0, 11370, 28865,   820.163, 4,   2.4,  14.0121, SC(Cam)DKTHTC(Cam)PPCPAPELLGGPSVFLFPPKPK, >D298_PRK5_UTRs_of_pTwist_C10_HC_DENV_mab  (7466 b
   14, target,     0, 11525, 15309,   765.856, 4,   2.7,  13.9123, SRWQQGNVFSC(Cam)SVM(O)HEALHNHYTQK, >D298_PRK5_UTRs_of_pTwist_C10_HC_DENV_mab  (7466 b
   15, target,     0, 23121, 21504,  1069.212, 3,   2.2,  13.9085, SLSSVVTVPSSSLGTQTYIC(Cam)NVNHKPSNTK, >D298_PRK5_UTRs_of_pTwist_C10_HC_DENV_mab  (7466 b
   16, target,     0, 28981, 18671,   761.857, 4,   2.1,  13.8730, SRWQQGNVFSC(Cam)SVMHEALHNHYTQK, >D298_PRK5_UTRs_of_pTwist_C10_HC_DENV_mab  (7466 b
   17, target,     0, 25086, 26715,   831.614, 5,   3.4,  13.8252, ISRTPEVTC(Cam)VVVDVSHEDPEVKFNWYVDGVEVHNAK, >D298_PRK5_UTRs_of_pTwist_C10_HC_DENV_mab  (7466 b
   18, target,     0, 28053, 30330,   697.617, 4,   3.8,  13.7432, THTC(Cam)PPCPAPELLGGPSVFLFPPKPK, >D298_PRK5_UTRs_of_pTwist_C10_HC_DENV_mab  (7466 b
   19, target,     0, 30374, 26243,   928.970, 4,   2.5,  13.6794, SSGLYSLSSVVTVPSSSLGTQTYIC(Cam)NVNHKPSNTK, >D298_PRK5_UTRs_of_pTwist_C10_HC_DENV_mab  (7466 b
   20, target,     0,  7633, 18666,   730.374, 4,   2.1,  13.6276, SVVTVPSSSLGTQTYIC(Cam)NVNHKPSNTK, >D298_PRK5_UTRs_of_pTwist_C10_HC_DENV_mab  (7466 b
   21, target,     0,  7251, 15307,   510.907, 6,   2.7,  13.5926, SRWQQGNVFSC(Cam)SVM(O)HEALHNHYTQK, >D298_PRK5_UTRs_of_pTwist_C10_HC_DENV_mab  (7466 b
   22, target,     0, 19331, 19324,   730.621, 4,   3.3,  13.3859, SVVTVPSSSLGTQTYIC(Cam)NVN(Deamidated)HKPSNTK, >D298_PRK5_UTRs_of_pTwist_C10_HC_DENV_mab  (7466 b
   23, target,     0, 22190, 21682,   731.396, 5,   1.3,  13.2917, AKGQPREPQVYTLPPSRDELTKNQVSLTC(Cam)LVK, >D298_PRK5_UTRs_of_pTwist_C10_HC_DENV_mab  (7466 b
   24, target,     0, 17284, 31946,   873.777, 3,   2.1,  13.2570, THTC(Cam)PPC(Cam)PAPELLGGPSVFLFPPK, >D298_PRK5_UTRs_of_pTwist_C10_HC_DENV_mab  (7466 b
   25, target,     0, 22761, 27920,   834.415, 4,  -1.3,  13.2278, SC(Cam)DKTHTC(Cam)PPC(Cam)PAPELLGGPSVFLFPPKPK, >D298_PRK5_UTRs_of_pTwist_C10_HC_DENV_mab  (7466 b";

const DATA_V3_40_DENOVO: &str = r"#=================== N-O-V-O-R ===================
#   NOVOR: Real-time Peptide de Novo Sequencing   
#               v3.40.910 (stable)
#             Free Academic License               
#============== www.rapidnovor.com ===============
#
# This result file was generated by a free academic license of Novor software at 2025-08-16 07:33:22
# and can be used for educational and academic research purposes only.

# input file = /tmp/15454707821369321020/20250515_EX1_UM1_plitt001_SA_EXT00_d5_T.mgf
# enzyme = Nonspecific
# fragmentation = HCD
# massAnalyzer = FT
# fragmentIonErrorTol = 0.02Da
# precursorErrorTol = 25.0ppm
# fixedModifications = Carbamidomethyl (C)
# variableModifications = Carbamyl (N-term), Acetyl (N-term), Oxidation (M), Deamidated (NQ), Ammonia-loss (N-term C)
# forbiddenResidues = I, U, O


# id, scanNum, RT, mz(data), z, pepMass(denovo), err(data-denovo), ppm(1e6*err/(mz*z)), score, peptide, aaScore, 
0, 29724, 3140.1, 846.6637, 4, 3382.7060, -0.0804, -23.8, 9.0, DPSWYRM(O)SEGPAPAELPLGGVPSFLFLLLAH, 32-1-1-2-1-1-1-1-2-1-1-10-36-11-2-1-1-5-57-8-1-1-1-1-2-76-2-3-40-1-1
1, 24267, 2655.9, 615.8412, 2, 1229.6616, 0.0063, 5.2, 68.7, STSGGTAALGALPK, 94-99-99-99-97-97-99-99-99-82-1-1-1-45
2, 4067, 850.4, 565.5673, 7, 3952.0130, -0.0927, -23.4, 1.4, NAAYC(Cam)C(Cam)QC(Cam)C(Cam)MRAKKLLVKRALLLYFAGKSETTK, 16-1-1-1-1-1-2-9-1-1-1-1-2-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-3-1-1-1
3, 39075, 4012.8, 1197.5861, 3, 3589.7325, 0.0039, 1.1, 2.4, FKANWHEFHRRRAGEGEREGEHRFQHLSS, 6-1-1-26-3-1-1-1-2-3-1-1-1-10-1-1-3-1-1-10-4-1-1-1-2-2-2-9-1
4, 25266, 2744.8, 680.3164, 3, 2037.9466, -0.0193, -9.4, 38.7, VFPGVYC(Cam)GGPSSEELQANK, 17-4-73-73-53-1-1-1-1-17-33-13-33-73-86-86-85-59-56
5, 22493, 2497.7, 619.3330, 3, 1854.9741, 0.0030, 1.6, 38.9, LLLYSSHPFARPSPDR, 92-99-99-97-1-1-1-68-1-1-1-1-2-2-10-95
6, 26535, 2857.1, 878.4379, 2, 1754.8509, 0.0104, 5.9, 67.6, M(O)VASSYLSLTPKGSANN, 30-36-98-99-99-99-99-99-99-99-98-50-12-53-58-24-3
7, 6426, 1063.3, 560.9985, 7, 3919.9093, 0.0291, 7.4, 7.5, DNPMPWWYRPAHKKSSM(O)LHKPVDAWYKWHGR, 32-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-2-9-3-9-1-19-1-1-1-1-59-1-2-59
8, 35524, 3667.7, 815.5306, 2, 1629.0164, 0.0302, 18.5, 11.6, MLAAKKLLPGLHKPL, 37-1-1-1-1-1-1-3-9-1-2-83-1-1-12
9, 29933, 3158.5, 680.6920, 3, 2039.0550, -0.0008, -0.4, 10.5, DRLPVFLPGFM(O)TSVPYGK, 32-1-1-1-6-1-2-55-11-1-1-1-1-2-1-62-9-1
10, 16102, 1931.3, 856.3851, 2, 1710.7519, 0.0037, 2.2, 42.8, SYSC(Cam)QVTHESGSLEK, 11-62-99-1-2-79-53-90-49-3-1-3-2-65-96
11, 21535, 2412.7, 624.3443, 2, 1246.6710, 0.0031, 2.5, 34.3, AAWGVSLTFAPK, 23-1-8-9-92-91-35-50-34-29-5-43
12, 31999, 3344.5, 872.4332, 2, 1742.8484, 0.0034, 1.9, 18.3, YC(Cam)RYLSLTC(Cam)SVPKP, 19-1-1-62-42-1-2-76-1-1-1-57-3-1
13, 15568, 1883.7, 572.8090, 2, 1143.5884, 0.0151, 13.2, 79.2, AGPRETTTPSK, 93-7-10-82-99-99-90-83-82-94-97
14, 9344, 1324.2, 487.7446, 2, 973.4716, 0.0031, 3.2, 93.3, LLEGEEER, 99-99-96-87-92-93-98-86
15, 42633, 4339.9, 495.7600, 2, 989.5029, 0.0025, 2.5, 82.5, AGVETTTPSK, 97-89-90-97-65-88-92-94-69-59
16, 31006, 3254.7, 377.7257, 2, 753.4385, -0.0017, -2.3, 8.9, DVKAPPK, 55-1-1-1-2-1-3
17, 30854, 3241.1, 506.2622, 2, 1010.4920, 0.0177, 17.5, 7.1, DVPLVQEPD, 55-1-1-5-1-1-1-1-3
18, 9342, 1324.1, 426.1958, 2, 850.3742, 0.0028, 3.3, 97.4, SLDEMEK, 99-99-99-97-94-99-98
19, 20084, 2283.5, 565.2724, 3, 1692.7930, 0.0024, 1.4, 76.2, AGGMFYVDGVEVHNAK, 18-1-2-89-94-97-93-97-94-82-95-87-92-66-39-63
20, 10507, 1427.8, 595.2669, 3, 1782.7843, -0.0055, -3.1, 63.7, Q(Pyro-Glu)PGGSC(Cam)QVTHEGSTVEK, 8-1-1-1-83-83-70-71-94-88-78-61-65-75-69-84-77
21, 47076, 4781.6, 419.7576, 2, 837.5072, -0.0066, -7.8, 6.3, ALPPGKGKA, 40-15-5-1-1-1-1-1-5
22, 15204, 1851.2, 418.8921, 3, 1253.6690, -0.0146, -11.6, 61.2, ELMNLPAPLEK, 38-1-16-21-67-97-93-91-83-97-96
23, 39593, 4061.5, 412.2496, 2, 822.4963, -0.0116, -14.1, 7.3, LVQAAKPP, 17-1-8-18-21-3-1-1
24, 7039, 1118.1, 739.3349, 2, 1476.6733, -0.0179, -12.1, 51.2, DFEVTHEGSTVEK, 18-1-4-69-95-89-89-74-3-1-55-98-79
25, 41576, 4244.0, 478.2892, 2, 954.5498, 0.0139, 14.6, 6.2, DKTKKPPAA, 48-1-1-1-1-1-1-1-5
26, 21731, 2430.1, 544.8206, 2, 1087.6237, 0.0030, 2.8, 88.3, NQVSLTSLVK, 53-74-99-99-98-95-94-88-94-99
27, 44282, 4491.6, 1301.6689, 3, 3901.9369, 0.0479, 12.3, 2.8, DHALSVWRRRRLLLYELC(Cam)LHQWC(Cam)HEESAPAT, 32-1-1-2-7-1-1-1-1-1-1-1-1-1-1-1-2-2-1-1-2-9-1-1-3-3-1-1-26-3-1
28, 27255, 2920.9, 947.9726, 2, 1893.9261, 0.0046, 2.4, 75.0, AALDWFDGKEFSGNPLK, 32-49-91-93-99-99-99-85-81-93-83-93-74-69-10-2-77
29, 9290, 1319.6, 641.7978, 2, 1281.5772, 0.0039, 3.1, 88.7, YNAQC(Cam)QETLR, 94-99-99-93-90-71-98-93-67-90
30, 32652, 3403.9, 801.0017, 2, 1599.9494, 0.0394, 24.6, 3.3, RLSQMKVKNTLLLG, 30-1-1-1-1-1-1-2-1-1-1-1-1-3
31, 26711, 2872.5, 945.4645, 2, 1888.8989, 0.0155, 8.2, 3.8, DSLVPLHDC(Cam)DGTGKTFK, 41-1-1-1-1-5-9-3-2-1-1-1-1-1-1-1-1
32, 46396, 4683.8, 1321.6505, 3, 3961.8441, 0.0855, 21.6, 2.5, LLC(Cam)MTVPWM(O)M(O)M(O)YLSRVPYLSC(Cam)C(Cam)YGSPVVGKKTS, 54-1-1-1-1-1-1-1-1-1-1-1-1-1-2-1-1-1-1-1-1-1-1-1-1-19-1-1-1-1-1-1-1
33, 39095, 4014.7, 661.3445, 2, 1320.6708, 0.0037, 2.8, 79.3, STSGGTAALGC(Cam)LVK, 64-80-99-99-95-86-92-92-94-93-70-59-66-68
34, 42551, 4332.5, 555.6780, 3, 1663.9774, 0.0348, 20.9, 2.7, KVVNHELPLLHPLVG, 24-1-1-2-1-1-1-1-5-1-1-1-5-0-1
35, 34437, 3565.4, 394.2074, 2, 786.3912, 0.0091, 11.5, 9.8, DVTLWPG, 55-1-1-2-3-7-3
36, 3805, 827.1, 489.5809, 3, 1465.7123, 0.0084, 5.7, 9.6, TATPVPEC(Cam)VPDLPA, 9-24-52-7-1-1-12-1-1-1-4-32-1-2
37, 42248, 4304.7, 1259.4669, 2, 2516.8933, 0.0260, 10.3, 2.7, DC(Cam)M(O)M(O)M(O)M(O)SGEEC(Cam)NQSFKGEVPS, 41-1-1-1-1-1-1-1-3-3-1-1-1-1-1-1-1-3-1-1-3
38, 40122, 4110.8, 433.2574, 2, 864.5069, -0.0067, -7.8, 6.4, ELLLQHL, 38-1-1-3-1-1-3
39, 39149, 4019.7, 564.2600, 5, 2816.2159, 0.0477, 16.9, 4.7, DAPSWRM(O)WC(Cam)C(Cam)PYKHSGKPWHNT, 32-1-1-1-1-17-12-9-1-1-1-2-1-1-1-1-1-27-1-1-1-1
40, 30017, 3166.0, 613.3158, 3, 1836.9590, -0.0335, -18.2, 2.4, DHEMTKKKKVYMATK, 32-1-1-1-1-2-1-1-1-3-1-1-1-1-1
41, 26886, 2888.1, 1021.2461, 4, 4080.9374, 0.0178, 4.4, 16.5, SLAWRVLM(O)LSC(Cam)FTYGTM(O)YC(Cam)MAHGGPWFLFLLLHA, 34-52-99-23-1-1-1-1-1-1-11-2-1-1-1-1-1-38-1-1-1-1-42-58-9-1-68-72-61-2-3-40-1-1";

/// Data from 202508
const DATA_V3_40_PSM: &str = r"#id, spectraId, scanNum, RT, mz, z, pepMass, err, ppm, score, protein, start, length, origin, peptide, noPTMPeptide, aac, allProteins
1, 10, 16102, 1931.3, 856.3851, 2, 1710.7519, 0.0037, 2.2, 5.6988, 3, 196, 15, SYSCQVTHEGSTVEK, SYSC(Cam)QVTHEGSTVEK, SYSCQVTHEGSTVEK, 5-44-44-1-3-37-34-28-32-4-3-3-2-37-50, 196@3;194@4;194@5;195@6;195@7;196@8;195@9;195@10;194@11;195@12
2, 12, 31999, 3344.5, 872.4332, 2, 1742.8516, 0.0002, 0.1, 3.0485, 3, 178, 15, YAASSYLSLTPEQWK, YAASSYLSLTPEQWK, YAASSYLSLTPEQWK, 13-24-5-3-3-34-37-2-4-42-15-16-3-3-4, 178@3;176@4;176@5;177@6;177@7;178@8;177@9;177@10;176@11;177@12
3, 15, 42633, 4339.9, 495.7600, 2, 989.5029, 0.0025, 2.5, 4.7880, 3, 163, 10, AGVETTTPSK, AGVETTTPSK, AGVETTTPSK, 50-36-40-48-26-33-47-34-29-18, 163@3;161@4;161@5;162@6;162@7;163@8;162@9;162@10;161@11;162@12
4, 33, 39095, 4014.7, 661.3445, 2, 1320.6708, 0.0037, 2.8, 6.9301, 13, 146, 14, STSGGTAALGCLVK, STSGGTAALGC(Cam)LVK, STSGGTAALGCLVK, 23-32-32-32-32-33-41-34-44-27-27-26-27-17, 146@13;139@14;150@15;145@16;140@17;140@18;140@19;150@20;138@21;138@22;138@23;138@24;138@25;138@26;138@27;138@28
5, 42, 35177, 3635.0, 559.9393, 3, 1676.7947, 0.0015, 0.9, 4.8416, 13, 287, 14, FNWYVDGVEVHNAK, FNWYVDGVEVHNAK, FNWYVDGVEVHNAK, 20-30-46-32-45-30-4-3-42-34-4-2-3-2, 287@13;280@14;291@15;286@16;281@17;281@18;281@19;291@20;279@21;279@22;279@23;279@24;279@25;279@26;279@27;279@28
6, 50, 25151, 2734.6, 495.7599, 2, 989.5029, 0.0023, 2.3, 4.6740, 3, 163, 10, AGVETTTPSK, AGVETTTPSK, AGVETTTPSK, 41-12-37-40-29-32-37-29-26-19, 163@3;161@4;161@5;162@6;162@7;163@8;162@9;162@10;161@11;162@12
7, 51, 15398, 1868.6, 571.2594, 3, 1710.7519, 0.0043, 2.5, 7.3097, 3, 196, 15, SYSCQVTHEGSTVEK, SYSC(Cam)QVTHEGSTVEK, SYSCQVTHEGSTVEK, 41-50-48-29-33-37-37-26-31-21-5-3-27-39-46, 196@3;194@4;194@5;195@6;195@7;196@8;195@9;195@10;194@11;195@12
8, 55, 13084, 1661.8, 426.2167, 2, 850.4219, -0.0031, -3.6, 2.4423, 13, 261, 7, DTLMISR, DTLM(O)ISR, DTLMISR, 34-50-42-55-45-30-36, 261@13;254@14;265@15;260@16;255@17;255@18;255@19;265@20;253@21;253@22;253@23;253@24;253@25;253@26;253@27;253@28
9, 80, 29462, 3116.8, 713.6834, 3, 2138.0201, 0.0081, 3.8, 4.9901, 13, 268, 19, TPEVTCVVVDVSHEDPEVK, TPEVTC(Cam)VVVDVSHEDPEVK, TPEVTCVVVDVSHEDPEVK, 41-23-26-27-5-5-7-18-36-30-1-3-4-3-12-12-15-31-27, 268@13;261@14;272@15;267@16;262@17;262@18;262@19;272@20;260@21;260@22;260@23;260@24;260@25;260@26;260@27;260@28
10, 82, 12322, 1589.1, 605.9662, 3, 1814.8734, 0.0035, 1.9, 5.3440, 9, 48, 16, LLMYGNSHRPSGVPDR, LLM(O)YGN(Deamidated)SHRPSGVPDR, LLMYGNSHRPSGVPDR, 33-50-58-47-25-30-20-19-32-16-2-1-2-17-17-44, 48@9;48@12
11, 83, 16574, 1973.1, 418.2215, 2, 834.4269, 0.0015, 1.8, 3.3769, 13, 261, 7, DTLMISR, DTLMISR, DTLMISR, 38-50-62-62-47-32-42, 261@13;254@14;265@15;260@16;255@17;255@18;255@19;265@20;253@21;253@22;253@23;253@24;253@25;253@26;253@27;253@28
12, 88, 14259, 1766.0, 856.3852, 2, 1710.7519, 0.0038, 2.2, 5.9234, 3, 196, 15, SYSCQVTHEGSTVEK, SYSC(Cam)QVTHEGSTVEK, SYSCQVTHEGSTVEK, 12-18-2-2-9-43-43-29-39-13-2-2-53-44-50, 196@3;194@4;194@5;195@6;195@7;196@8;195@9;195@10;194@11;195@12
13, 93, 21725, 2429.5, 513.9338, 3, 1538.7763, 0.0034, 2.2, 3.5063, 18, 75, 13, AKNSLYLEMNSLR, AKN(Deamidated)SLYLEMNSLR, AKNSLYLEMNSLR, 4-5-3-3-2-24-37-53-50-31-27-28-21, 75@18
14, 94, 8062, 1210.3, 731.3358, 2, 1460.6566, 0.0005, 0.3, 6.9032, 3, 198, 13, SCQVTHEGSTVEK, SC(Cam)QVTHEGSTVEK, SCQVTHEGSTVEK, 50-50-47-48-35-38-41-35-27-29-62-52-50, 198@3;196@4;196@5;197@6;197@7;198@8;197@9;197@10;196@11;197@12
15, 99, 44911, 4548.4, 581.3191, 2, 1160.6223, 0.0013, 1.1, 1.5958, 13, 373, 10, NQVSLTCLVK, NQVSLTC(Cam)LVK, NQVSLTCLVK, 7-22-55-34-30-4-3-3-3-1, 373@13;366@14;377@15;372@16;367@17;367@18;367@19;377@20;365@21;365@22;365@23;365@24;365@25;365@26;365@27;365@28
16, 111, 31118, 3264.8, 937.4661, 2, 1872.9145, 0.0030, 1.6, 8.4701, 13, 405, 17, TTPPVLDSDGSFFLYSK, TTPPVLDSDGSFFLYSK, TTPPVLDSDGSFFLYSK, 34-50-36-22-43-45-38-29-35-13-3-30-34-33-47-31-44, 405@13;398@14;409@15;404@16;399@17;399@18;399@19;409@20;397@21;397@22;397@23;397@24;397@25;397@26;397@27;397@28
17, 131, 27921, 2979.9, 1112.2175, 3, 3333.6348, -0.0042, -1.3, 12.6990, 13, 231, 30, SCDKTHTCPPCPAPELLGGPSVFLFPPKPK, SC(Cam)DKTHTC(Cam)PPC(Cam)PAPELLGGPSVFLFPPKPK, SCDKTHTCPPCPAPELLGGPSVFLFPPKPK, 7-16-19-23-15-6-29-37-35-18-14-25-32-21-38-52-62-41-43-28-24-33-35-35-46-30-19-22-22-27, 231@13;224@14;235@15;230@16;225@17;225@18;225@19;235@20;223@21;223@22;223@23;223@24;223@25;223@26;223@27;223@28
18, 133, 39452, 4048.0, 628.0191, 3, 1881.0320, 0.0034, 1.8, 2.9615, 18, 1, 19, EVQLVESGGGLVKPGGSLR, EVQLVESGGGLVKPGGSLR, EVQLVESGGGLVKPGGSLR, 2-2-3-24-38-22-5-4-5-5-4-5-38-12-4-4-5-3-3, 1@18
19, 135, 25102, 2730.3, 615.3208, 3, 1842.9363, 0.0043, 2.3, 6.8225, 3, 119, 17, PSVTLFPPSSEELQANK, PSVTLFPPSSEELQANK, PSVTLFPPSSEELQANK, 5-27-23-29-39-62-62-35-30-35-36-3-5-29-35-28-47, 119@3;117@4;117@5;118@6;118@7;119@8;118@9;118@10;117@11;118@12
20, 139, 22896, 2534.0, 552.8095, 2, 1103.6009, 0.0035, 3.2, 5.1098, 13, 373, 10, NQVSLTCLVK, NQVSLTCLVK, NQVSLTCLVK, 3-26-62-22-31-24-27-31-39-44, 373@13;366@14;377@15;372@16;367@17;367@18;367@19;377@20;365@21;365@22;365@23;365@24;365@25;365@26;365@27;365@28
21, 142, 10474, 1424.8, 438.2342, 2, 874.4508, 0.0031, 3.5, 1.3656, 18, 69, 8, SIARDNAK, SIARDN(Deamidated)AK, SIARDNAK, 7-32-6-1-2-39-53-50, 69@18
22, 143, 29217, 3094.8, 993.5094, 2, 1985.0106, -0.0063, -3.2, 3.3865, 3, 117, 19, AAPSVTLFPPSSEELQANK, AAPSVTLFPPSSEELQANK, AAPSVTLFPPSSEELQANK, 4-18-16-2-5-21-11-39-28-2-3-4-14-4-3-4-4-4-5, 117@3;115@4;115@5;116@6;116@7;117@8;116@9;116@10;115@11;116@12
23, 145, 10183, 1399.1, 432.6928, 2, 863.3695, 0.0017, 1.9, 2.3554, 3, 211, 8, TVAPTECS, TVAPTEC(Cam)S, TVAPTECS, 1-32-33-2-2-13-3-5, 211@3;209@4;209@5;210@6;210@7;211@8;210@9;210@10;209@11;210@12
24, 147, 20714, 2339.5, 661.3455, 2, 1320.6708, 0.0057, 4.3, 7.8240, 13, 146, 14, STSGGTAALGCLVK, STSGGTAALGC(Cam)LVK, STSGGTAALGCLVK, 13-11-50-31-29-34-34-48-48-29-26-30-31-50, 146@13;139@14;150@15;145@16;140@17;140@18;140@19;150@20;138@21;138@22;138@23;138@24;138@25;138@26;138@27;138@28
25, 154, 14483, 1785.9, 571.2590, 3, 1710.7519, 0.0033, 1.9, 7.5122, 3, 196, 15, SYSCQVTHEGSTVEK, SYSC(Cam)QVTHEGSTVEK, SYSCQVTHEGSTVEK, 41-50-62-33-36-40-40-26-36-5-3-26-33-42-50, 196@3;194@4;194@5;195@6;195@7;196@8;195@9;195@10;194@11;195@12
120, 903, 19466, 2228.6, 840.0724, 3, 2517.1925, 0.0028, 1.1, 3.9046, 7, 25, 23, SSSNIGAGYDVHWYQQLPGTAPK, (N-term|Acetyl)SSSNIGAGYDVHWYQQLPGTAPK, SSSNIGAGYDVHWYQQLPGTAPK, 2-8-6-7-5-5-7-6-7-7-6-5-5-32-25-26-41-28-5-3-42-27-19, 25@7;25@6";

/// Data from 202512
const DATA_PSM_V4_66: &str = r##"ID,Fraction,Scan #,m/z,z,Score,Mass,Error (ppm),"# Proteins",Sequence
P0001-1,1,14067,1115.2724609375,4.0,15.7984,4457.0531,1.7,1,TEPAAEAEAASGPSESPSPPAAEELPGSHAEPPVPAQGEAPGEQAR
P0001-743,1,14089,1486.69482421875,3.0,5.8514,4457.0531,2.1,1,TEPAAEAEAASGPSESPSPPAAEELPGSHAEPPVPAQGEAPGEQAR
P0002-2,1,7195,895.407958984375,4.0,13.9101,3577.6041,-0.4,1,AQETEAAPSQAPADEPEPESAAAQSQENQDTRPK
P0002-2900,1,7299,716.527709960938,5.0,2.5743,3577.6041,-0.5,1,AQETEAAPSQAPADEPEPESAAAQSQENQDTRPK
P0002-3,1,7158,1193.542114257813,3.0,13.8352,3577.6041,0.1,1,AQETEAAPSQAPADEPEPESAAAQSQENQDTRPK
P0003-152,1,20317,1381.312377929688,3.0,8.3139,4140.9144,0.2,1,MLFSPEEMDLSQEQPLDAQQGPPEPAQESLSGSESKPK
P0003-4,1,20295,1036.235717773438,4.0,13.7632,4140.9144,-0.1,1,MLFSPEEMDLSQEQPLDAQQGPPEPAQESLSGSESKPK
P0004-432,1,17619,1101.5244140625,4.0,6.7212,4402.0909,-5.1,1,AAAAAAAAAAAATGTEAGPGTAGGSEN(Deamidated)GSEVAAQPAGLSGPAEVGPGAVGER
P0004-5,1,17568,881.435180664063,5.0,13.4535,4402.0909,11.0,1,AAAAAAAAAAAATGTEAGPGTAGGSEN(Deamidated)GSEVAAQPAGLSGPAEVGPGAVGER
P0005-1119,1,12008,1259.222045898438,3.0,5.1293,3774.6405,1.0,1,QISYNYSDLDQSNVTEETPEGEEHHPVADTENK
P0005-6,1,11973,944.668029785156,4.0,13.3522,3774.6405,0.7,1,QISYNYSDLDQSNVTEETPEGEEHHPVADTENK
P0006-2097,1,16539,1589.735473632813,3.0,3.6682,4766.1638,4.4,1,TEGGGSEAPLC(Cam)PGPPAGEEPAISEAAPEAGAPTSASGLN(Deamidated)GHPTLSGGGDQR
P0006-7,1,16887,1192.54736328125,4.0,13.159,4766.1638,-0.7,1,TEGGGSEAPLC(Cam)PGPPAGEEPAISEAAPEAGAPTSASGLN(Deamidated)GHPTLSGGGDQR
P0007-14,1,1592,994.405822753906,3.0,11.5173,2980.1953,0.1,1,TDNAGDQHGGGGGGGGGAGAAGGGGGGENYDDPHK
P0007-173,1,1640,597.046203613281,5.0,8.1271,2980.1953,-0.2,1,TDNAGDQHGGGGGGGGGAGAAGGGGGGENYDDPHK
P0007-2929,1,3423,746.0546875,4.0,2.543,2980.1953,-1.9,1,TDNAGDQHGGGGGGGGGAGAAGGGGGGENYDDPHK
P0007-421,1,2148,746.055480957031,4.0,6.7573,2980.1953,-0.8,1,TDNAGDQHGGGGGGGGGAGAAGGGGGGENYDDPHK
P0007-8,1,1591,746.056274414063,4.0,12.7495,2980.1953,0.2,1,TDNAGDQHGGGGGGGGGAGAAGGGGGGENYDDPHK
P0008-9,1,10335,1025.212036132813,4.0,12.5269,4096.8231,-1.0,1,AGAEEGGQGQAAGGQQVAEQGPEPAEDGGHLASEPEVQPSDR
P0009-10,1,11464,826.94970703125,5.0,12.3391,4129.7216,-2.3,1,SVTVVEDDEDEDGDDLLHHHHGSHC(Cam)SSSGDPAEYNLR
P0009-1402,1,11465,1033.436889648438,4.0,4.6505,4129.7216,-0.8,1,SVTVVEDDEDEDGDDLLHHHHGSHC(Cam)SSSGDPAEYNLR
P0009-1604,1,12037,826.951721191406,5.0,4.3704,4129.7216,0.1,1,SVTVVEDDEDEDGDDLLHHHHGSHC(Cam)SSSGDPAEYNLR
P0010-11,1,5437,906.157775878906,5.0,11.9984,4525.7543,-0.4,1,KEEEEAEDKEDDEDKDEDEEDEEDKEEDEEEDVPGQAK
P0010-1419,1,4594,906.157653808594,5.0,4.6179,4525.7543,-0.5,1,KEEEEAEDKEDDEDKDEDEEDEEDKEEDEEEDVPGQAK
P0010-1624,1,5470,1132.44287109375,4.0,4.3397,4525.7543,-2.6,1,KEEEEAEDKEDDEDKDEDEEDEEDKEEDEEEDVPGQAK"##;