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view test-data/peptide_shaker_psm_result2.tabular @ 46:baeced706dbc draft

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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 57426db0c017009ac7ab0498f8580efc453398c8
author galaxyp
date Wed, 11 Jul 2018 08:14:23 -0400
parents ad60446b1e93
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	Protein(s)	Sequence	AAs Before	AAs After	Position	Modified Sequence	Variable Modifications	Fixed Modifications	Spectrum File	Spectrum Title	Spectrum Scan Number	RT	m/z	Measured Charge	Identification Charge	Theoretical Mass	Isotope Number	Precursor m/z Error [ppm]	Localization Confidence	Probabilistic PTM score	D-score	Confidence [%]	Validation
1	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	LHVEMESMIEELQMLMDAK	NK; NK	LS; LS	403; 403	NH2-LHVEMESMIEELQMLMDAK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 1198, +MSn(1139.0413), 115.6 min		-1.0	1139.04127	2+	2+	2276.05608409959	0	5.225020941968939				100.0	Doubtful
2	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	NLLLDANKENGELK	AK; AK	IS; IS	147; 147	NH2-NLLLDANKENGELK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 207,  MSn(785.9179), 35.7 min		-1.0	785.91791	2+	2+	1569.8362356486905	0	-9.522902824571501				100.0	Doubtful
3	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	MEIITITNQLQR	MK; MK	SN; SN	373; 373	NH2-MEIITITNQLQR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 636,  MSn(730.3981), 66.9 min		-1.0	730.39814	2+	2+	1458.7864490053003	0	-3.232431329032245				100.0	Doubtful
4	cds.comp52727_c0_seq1, cds.comp52727_c0_seq2	EIRDEYDNQLNLLSADLESK	MR; MR	YQ; YQ	298; 298	NH2-EIRDEYDNQLNLLSADLESK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 748, +MSn(789.0604), 76.1 min		-1.0	789.06034	3+	3+	2364.1444984557097	0	6.206637734347747				100.0	Doubtful
5	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	LHVEMESMIEELQMLMDAK	NK; NK	LS; LS	403; 403	NH2-LHVEMESMIEELQMLMDAK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 1198,  MSn(1139.0413), 115.6 min		-1.0	1139.04127	2+	2+	2276.05608409959	0	5.225020941968939				100.0	Doubtful
6	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	MEIITITNQLQR	MK; MK	SN; SN	373; 373	NH2-MEIITITNQLQR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 636, +MSn(730.3981), 66.9 min		-1.0	730.39814	2+	2+	1458.7864490053003	0	-3.232431329032245				100.0	Doubtful
7	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	NLLLDANKENGELK	AK; AK	IS; IS	147; 147	NH2-NLLLDANKENGELK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 207, +MSn(785.9179), 35.7 min		-1.0	785.91791	2+	2+	1569.8362356486905	0	-9.522902824571501				100.0	Doubtful
8	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	SHVVGAGLGGGSMGSMNQSMSLHGGR	RR; RR	AS; AS	37; 37	NH2-SHVVGAGLGGGSMGSMNQSMSLHGGR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 220,  MSn(824.3852), 36.3 min		-1.0	824.38516	3+	3+	2470.1263804604496	0	2.939629370057349				100.0	Doubtful
9	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	EFDVEPLKEAYQAEIDEAK	RR; RR	NL; NL	128; 128	NH2-EFDVEPLKEAYQAEIDEAK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 736,  MSn(742.0258), 75.1 min		-1.0	742.02585	3+	3+	2223.05830922026	0	-1.1628605149493787				100.0	Doubtful
10	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	INEDRIDELQDKVNK	AR; AR	LI; LI	179; 179	NH2-INEDRIDELQDKVNK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 81,  MSn(610.3171), 27.0 min		-1.0	610.31708	3+	3+	1827.9326552146704	0	-1.7720894394949223				100.0	Doubtful
11	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	VGNLEEELEFLR	QK; QK	SV; SV	254; 254	NH2-VGNLEEELEFLR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 875, +MSn(483.2538), 89.2 min		-1.0	483.25374	3+	3+	1446.7354589782603	0	2.711916908512312				100.0	Doubtful
12	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	EFDVEPLKEAYQAEIDEAK	RR; RR	NL; NL	128; 128	NH2-EFDVEPLKEAYQAEIDEAK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 736, +MSn(742.0258), 75.1 min		-1.0	742.02585	3+	3+	2223.05830922026	0	-1.1628605149493787				100.0	Doubtful
13	cds.comp52727_c0_seq1, cds.comp52727_c0_seq2	EIRDEYDNQLNLLSADLESK	MR; MR	YQ; YQ	298; 298	NH2-EIRDEYDNQLNLLSADLESK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 748,  MSn(789.0604), 76.1 min		-1.0	789.06034	3+	3+	2364.1444984557097	0	6.206637734347747				100.0	Doubtful
14	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	ASLGMAAGVAGGIATK	GR; GR	DM; DM	63; 63	NH2-ASLGMAAGVAGGIATK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 357,  MSn(687.8723), 46.6 min		-1.0	687.87224	2+	2+	1373.7336851564505	0	-2.731669916283406				100.0	Doubtful
15	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	VGNLEEELEFLR	QK; QK	SV; SV	254; 254	NH2-VGNLEEELEFLR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 875,  MSn(483.2538), 89.2 min		-1.0	483.25374	3+	3+	1446.7354589782603	0	2.711916908512312				100.0	Doubtful
16	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	INEDRIDELQDKVNK	AR; AR	LI; LI	179; 179	NH2-INEDRIDELQDKVNK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 81, +MSn(610.3171), 27.0 min		-1.0	610.31708	3+	3+	1827.9326552146704	0	-1.7720894394949223				100.0	Doubtful
17	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	LHVEMESMIEELQMLMDAK	NK; NK	LS; LS	403; 403	NH2-LHVEMESMIEELQMLMDAK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 1197,  MSn(759.6966), 115.6 min		-1.0	759.69661	3+	3+	2276.05608409959	0	5.2286496671522364				100.0	Doubtful
18	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	VGNLEEELEFLR	QK; QK	SV; SV	254; 254	NH2-VGNLEEELEFLR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 871,  MSn(724.3762), 88.9 min		-1.0	724.37624	2+	2+	1446.7354589782603	0	1.7035983403308754				100.0	Doubtful
19	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2, cds.comp41779_c0_seq3	LISATSISPEHK	DR; DR; DR	ID; ID; ID	549; 542; 67	NH2-LISATSISPEHK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 75,  MSn(641.8547), 26.7 min		-1.0	641.85466	2+	2+	1281.6928658902905	0	1.4810042052113237				100.0	Doubtful
20	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2, cds.comp41779_c0_seq3	LISATSISPEHK	DR; DR; DR	ID; ID; ID	549; 542; 67	NH2-LISATSISPEHK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 72,  MSn(428.2391), 26.6 min		-1.0	428.23909	3+	3+	1281.6928658902905	0	2.0041097707959827				100.0	Doubtful
21	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	NLLLDANKENGELK	AK; AK	IS; IS	147; 147	NH2-NLLLDANKENGELK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 204,  MSn(524.2825), 35.5 min		-1.0	524.28252	3+	3+	1569.8362356486905	0	-6.678955564950069				100.0	Doubtful
22	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	SHVVGAGLGGGSMGSMNQSMSLHGGR	RR; RR	AS; AS	37; 37	NH2-SHVVGAGLGGGSMGSMNQSMSLHGGR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 220, +MSn(824.3852), 36.3 min		-1.0	824.38516	3+	3+	2470.1263804604496	0	2.939629370057349				100.0	Doubtful
23	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	ISTGYITENIGGFR	NR; NR	SE; SE	442; 442	NH2-ISTGYITENIGGFR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 588,  MSn(764.3961), 63.5 min		-1.0	764.39611	2+	2+	1526.7729071161402	0	3.1135461012602375				100.0	Doubtful
24	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2, cds.comp41779_c0_seq3	KGDIIATVDEWGPVNR	AK; AK; AK	NS; NS; NS	590; 583; 108	NH2-KGDIIATVDEWGPVNR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 582,  MSn(590.6452), 63.2 min		-1.0	590.64518	3+	3+	1768.9107975712802	0	1.6439836590138295				100.0	Doubtful
25	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2, cds.comp41779_c0_seq3	SVISIGEVESEGQYVTLENTSSGR	SK; SK; SK	SK; SK; SK	511; 504; 29	NH2-SVISIGEVESEGQYVTLENTSSGR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 758, +MSn(847.7508), 76.8 min		-1.0	847.75082	3+	3+	2540.2242053283903	0	2.5264056585684305				100.0	Doubtful
26	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2, cds.comp41779_c0_seq3	LISATSISPEHK	DR; DR; DR	ID; ID; ID	549; 542; 67	NH2-LISATSISPEHK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 75, +MSn(641.8547), 26.7 min		-1.0	641.85466	2+	2+	1281.6928658902905	0	1.4810042052113237				100.0	Doubtful
27	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	YESQLSQIR	AR; AR	QS; QS	323; 323	NH2-YESQLSQIR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 67,  MSn(562.2947), 26.3 min		-1.0	562.29468	2+	2+	1122.5669371011802	0	6.998127984108653				100.0	Doubtful
28	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	SLQAENEQLR	VR; VR	LK; LK	110; 110	NH2-SLQAENEQLR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 39,  MSn(594.3056), 25.0 min		-1.0	594.30561	2+	2+	1186.5942144781802	0	2.0634108237361883				100.0	Doubtful
29	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	YESQLSQIR	AR; AR	QS; QS	323; 323	NH2-YESQLSQIR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 67, +MSn(562.2947), 26.3 min		-1.0	562.29468	2+	2+	1122.5669371011802	0	6.998127984108653				100.0	Doubtful
30	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	VGNLEEELEFLR	QK; QK	SV; SV	254; 254	NH2-VGNLEEELEFLR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 871, +MSn(724.3762), 88.9 min		-1.0	724.37624	2+	2+	1446.7354589782603	0	1.7035983403308754				100.0	Doubtful
31	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2, cds.comp41779_c0_seq3	KGDIIATVDEWGPVNR	AK; AK; AK	NS; NS; NS	590; 583; 108	NH2-KGDIIATVDEWGPVNR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 582, +MSn(590.6452), 63.2 min		-1.0	590.64518	3+	3+	1768.9107975712802	0	1.6439836590138295				100.0	Doubtful
32	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	ISTGYITENIGGFR	NR; NR	SE; SE	442; 442	NH2-ISTGYITENIGGFR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 588, +MSn(764.3961), 63.5 min		-1.0	764.39611	2+	2+	1526.7729071161402	0	3.1135461012602375				100.0	Doubtful
33	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2, cds.comp41779_c0_seq3	SVISIGEVESEGQYVTLENTSSGR	SK; SK; SK	SK; SK; SK	511; 504; 29	NH2-SVISIGEVESEGQYVTLENTSSGR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 758,  MSn(847.7508), 76.8 min		-1.0	847.75082	3+	3+	2540.2242053283903	0	2.5264056585684305				100.0	Doubtful
34	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	ISITTYEEEIEDLHATAR	LK; LK	IN; IN	161; 161	NH2-ISITTYEEEIEDLHATAR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 752, +MSn(697.6842), 76.3 min		-1.0	697.68418	3+	3+	2090.0167787614505	0	6.6562738302421005				100.0	Doubtful
35	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	ISTGYITENIGGFR	NR; NR	SE; SE	442; 442	NH2-ISTGYITENIGGFR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 591,  MSn(509.9328), 63.7 min		-1.0	509.93283	3+	3+	1526.7729071161402	0	2.4535863107993414				100.0	Doubtful
36	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	LHVEMESMIEELQMLMDAK	NK; NK	LS; LS	403; 403	NH2-LHVEMESMIEELQMLMDAK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 1197, +MSn(759.6966), 115.6 min		-1.0	759.69661	3+	3+	2276.05608409959	0	5.2286496671522364				100.0	Doubtful
37	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	ISITTYEEEIEDLHATAR	LK; LK	IN; IN	161; 161	NH2-ISITTYEEEIEDLHATAR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 752,  MSn(697.6842), 76.3 min		-1.0	697.68418	3+	3+	2090.0167787614505	0	6.6562738302421005				100.0	Doubtful
38	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	ASLGMAAGVAGGIATK	GR; GR	DM; DM	63; 63	NH2-ASLGMAAGVAGGIATK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 357, +MSn(687.8723), 46.6 min		-1.0	687.87224	2+	2+	1373.7336851564505	0	-2.731669916283406				100.0	Doubtful
39	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	NLLLDANKENGELK	AK; AK	IS; IS	147; 147	NH2-NLLLDANKENGELK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 204, +MSn(524.2825), 35.5 min		-1.0	524.28252	3+	3+	1569.8362356486905	0	-6.678955564950069				100.0	Doubtful
40	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2, cds.comp41779_c0_seq3	LISATSISPEHK	DR; DR; DR	ID; ID; ID	549; 542; 67	NH2-LISATSISPEHK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 72, +MSn(428.2391), 26.6 min		-1.0	428.23909	3+	3+	1281.6928658902905	0	2.0041097707959827				100.0	Doubtful
41	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	SLQAENEQLR	VR; VR	LK; LK	110; 110	NH2-SLQAENEQLR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 39, +MSn(594.3056), 25.0 min		-1.0	594.30561	2+	2+	1186.5942144781802	0	2.0634108237361883				100.0	Doubtful
42	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	ISTGYITENIGGFR	NR; NR	SE; SE	442; 442	NH2-ISTGYITENIGGFR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 591, +MSn(509.9328), 63.7 min		-1.0	509.93283	3+	3+	1526.7729071161402	0	2.4535863107993414				100.0	Doubtful