view test-data/two/combined/txt/msms.txt @ 2:3fc2116ac6d9 draft

"planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit 74b5aa29e49deaaebe19ce2355a70d4f570f4951"

Raw file	Scan number	Scan index	Sequence	Length	Missed cleavages	Modifications	Modified sequence	Oxidation (M) Probabilities	Oxidation (M) Score Diffs	Oxidation (M)	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 ScanNumber	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	Neutral loss level	ETD identification type	Reverse	All scores	All sequences	All modified sequences	id	Protein group IDs	Peptide ID	Mod. peptide ID	Evidence ID	Oxidation (M) site IDs
BSA_min_21	82	67	DDPHACYSTVFDK	13	0	Unmodified	_DDPHACYSTVFDK_			0	CON__P02769;bsa	2	CID	FTMS	MULTI-MSMS	4	0	777.83011	1553.6457	0.83472	0.00064927	NaN	0.48088	0.0087938	0	0	NaN	NaN	1	0	0	0	78	14602.341796875	1	0	0						0	0	0	None	Unknown		0	DDPHACYSTVFDK	_DDPHACYSTVFDK_	0	0	0	0	0	
BSA_min_22	60	48	ECCHGDLLECADDR	14	0	Unmodified	_ECCHGDLLECADDR_			0	CON__P02769;bsa	3	CID	FTMS	MULTI-MSMS	2	1	583.89236	1748.6553	-1.2	-0.00070066	NaN	0.34278	0.012255	4.06	4.06	NaN	NaN	1	0	0	0	58	153296.796875	1	0	0	y2;b7	138.2;64.3	0.000875681750017066;0.0151950483749488	3.01808299667453;17.4197737863645	290.14501953125;872.287353515625	2	0.0345694906307557	0.016260162601626	None	Unknown		4.06002529511453	ECCHGDLLECADDR	_ECCHGDLLECADDR_	1	0	1	1	1	
BSA_min_22	67	53	ECCHGDLLECADDR	14	0	Unmodified	_ECCHGDLLECADDR_			0	CON__P02769;bsa	3	CID	FTMS	MULTI-MSMS	1	0	583.89236	1748.6553	-1.2	-0.00070066	NaN	0.3858	0.012255	0	0	NaN	NaN	1	0	0	0	66	93077.6484375	0.590638368628048	-6	0.16876						0	0	0	None	Unknown		0	ECCHGDLLECADDR	_ECCHGDLLECADDR_	2	0	1	1	1	
BSA_min_22	90	70	ECCHGDLLECADDR	14	0	Unmodified	_ECCHGDLLECADDR_			0	CON__P02769;bsa	2	CID	FTMS	MULTI-MSMS	2	0	875.3349	1748.6553	0.26945	0.00023586	NaN	0.52328	0.012255	3.6449	3.6449	NaN	NaN	1	0	0	0	88	65524.953125	1	0	0	y10	82.6	-0.0168735156998991	-14.5021701256686	1163.5166015625	1	0.0263469586281723	0.00862068965517241	None	Unknown		3.64492303257886	ECCHGDLLECADDR	_ECCHGDLLECADDR_	3	0	1	1	2	
BSA_min_21	45	36	GCTTTNSPSTPCQNCSR	17	0	Unmodified	_GCTTTNSPSTPCQNCSR_			0	CON__Q6IFU6	2	CID	FTMS	MSMS	2		964.3882	1926.7618	NaN	NaN	NaN	0.26375	0.016011	0	0	NaN	NaN	1	0	0	0	-1	NaN	NaN	0	NaN						0	0	0	None	Unknown		0	GCTTTNSPSTPCQNCSR	_GCTTTNSPSTPCQNCSR_	4	4	2	2	3	
BSA_min_21	10	7	LGQYTSPVAK	10	0	Unmodified	_LGQYTSPVAK_			0	CON__P01030;CON__ENSEMBL:ENSBTAP00000007350	2	CID	FTMS	MSMS	3		532.29276	1062.571	NaN	NaN	NaN	0.057288	0.0074222	9.2141	9.2141	NaN	NaN	1	0	0	0	-1	NaN	NaN	0	NaN	y3;b2;b4	12.9;21.6;166.6	-0.00279849649376729;-0.00340676689998531;-0.00711106876252643	-8.82191072988591;-19.9090833143192;-15.3838714608204	317.221130371094;171.1162109375;462.241821289063	3	0.0308188417439214	0.0245901639344262	None	Unknown		9.21405366890568;0;0	LGQYTSPVAK;AQYELIAQK;AQYEIIAQK	_LGQYTSPVAK_;_AQYELIAQK_;_AQYEIIAQK_	5	1	3	3	4	
BSA_min_21	67	54	TSDANINWNNLK	12	0	Unmodified	_TSDANINWNNLK_			0	CON__Q29443;CON__Q0IIK2	3	CID	FTMS	MULTI-MSMS	1	0	463.89676	1388.6684	0.2251	0.00010442	NaN	0.39389	0.0053592	0	0	NaN	NaN	1	0	0	0	66	23524.845703125	0.459529453830584	-1	0.0348916666666667						0	0	0	None	Unknown		0	TSDANINWNNLK	_TSDANINWNNLK_	6	3	4	4	5	
BSA_min_21	98	80	TSDANINWNNLK	12	0	Unmodified	_TSDANINWNNLK_			0	CON__Q29443;CON__Q0IIK2	3	CID	FTMS	MULTI-MSMS	5	1	463.89676	1388.6684	0.2251	0.00010442	NaN	0.57847	0.0053592	2.8669	2.8669	NaN	NaN	1	0	0	0	93	7351.9912109375	0.14361227054852	4	NaN	b9	5.8	-0.00485963613130025	-4.78099799382671	1016.44805908203	1	0.00268406539551173	0.00961538461538462	None	Unknown		2.86688527480472	TSDANINWNNLK	_TSDANINWNNLK_	7	3	4	4	5	
BSA_min_21	70	57	TSDANINWNNLK	12	0	Unmodified	_TSDANINWNNLK_			0	CON__Q29443;CON__Q0IIK2	2	CID	FTMS	MULTI-MSMS	4	0	695.3415	1388.6684	1.6082	0.0011183	NaN	0.41019	0.0053592	0	0	NaN	NaN	1	0	0	0	66	16808.548828125	0.978200928418143	-1	0.0348916666666667						0	0	0	None	Unknown		0;0	TSDANINWNNLK;HVFAVDGAGEMLK	_TSDANINWNNLK_;_HVFAVDGAGEM(ox)LK_	8	3	4	4	6	
BSA_min_21	80	65	YCGVPGEYWLGNDR	14	0	Unmodified	_YCGVPGEYWLGNDR_			0	CON__P02676	3	CID	FTMS	MULTI-MSMS	2	0	562.58407	1684.7304	-0.095012	-5.3452E-05	NaN	0.46942	0.012255	0	0	NaN	NaN	1	0	0	0	78	21744.55859375	0.743883342518387	-1	0.0342566666666667						0	0	0	None	Unknown		0	YCGVPGEYWLGNDR	_YCGVPGEYWLGNDR_	9	2	5	5	7	
BSA_min_21	92	75	YCGVPGEYWLGNDR	14	0	Unmodified	_YCGVPGEYWLGNDR_			0	CON__P02676	2	CID	FTMS	MULTI-MSMS	3	1	843.37247	1684.7304	1.6852	0.0014212	NaN	0.54095	0.012255	3.6449	3.6449	NaN	NaN	1	0	0	0	89	10235.505859375	1	0	0	y13	5.5	0.01796629868727	11.7993127121924	1522.65637207031	1	0.00360499788750048	0.00961538461538462	None	Unknown		3.64492303257886	YCGVPGEYWLGNDR	_YCGVPGEYWLGNDR_	10	2	5	5	8	
BSA_min_21	44	35	YICDNQDTISSK	12	0	Unmodified	_YICDNQDTISSK_			0	CON__P02769;bsa	2	CID	FTMS	MSMS	1		722.32466	1442.6348	NaN	NaN	NaN	0.25827	3.6003E-09	24.343	7.7115	NaN	NaN	1	0	0	0	-1	NaN	NaN	0	NaN	y3;y8;y9;y10;b9	300.5;246.4;476.9;729.7;28	-0.00453549397497;-0.0138762988750614;-0.0167184231250985;-0.0175643623499582;-0.0019145705750816	-14.1212848085697;-15.5485287132689;-16.594286035641;-15.0442644146915;-1.70415154482157	321.181396484375;892.450927734375;1007.48071289063;1167.51220703125;1123.47436523438	5	0.182617971514711	0.0357142857142857	None	Unknown		24.3433433825462;16.6318347984703	YICDNQDTISSK;YICENQDSISSK	_YICDNQDTISSK_;_YICENQDSISSK_	11	0	6	6	9