view test-data/testlib.sptxt @ 0:e3a05965ca0c draft default tip

planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast2tsv commit d8b91dbe304c99bb5a46da25a5820005cde105c5-dirty
author galaxyp
date Sat, 30 May 2015 05:10:54 -0400
parents
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### SequestConsensusFiltered.sptxt  (Text version of SequestConsensusFiltered.splib)
### SpectraST (version 4.0, TPP v4.5 RAPTURE rev 1, Build 201111141620 (MinGW))
### 
### COMPILE FROM "z:/html/Sorcerer_Searches/1201_YeastPostDiauxic/SequestConsensusLib.splib" ; FILTER for Protein!~reverse_
### > SequestConsensusLib.splib : COMPILE FROM "/mnt/u07/lgillet/html/Sorcerer_Searches/1201_YeastPostDiauxic/SequestConsensusLib2.splib"  [CONSENSUS;r=1;I=;_QUO=0.6;_XNR=100;_WGT=SN;_DIS=TRUE;_XPK=150;_XPU=300;_BDN=FALSE;_TBD=FALSE]
### > > SequestConsensusLib2.splib : IMPORT FROM PepXML "/mnt/u07/lgillet/html/Sorcerer_Searches/1201_YeastPostDiauxic/interact-SequestAllCombined.pep.xml", (SEQUEST against "/IMSB/users/lgillet/html/databases/SGD_decoy.fasta" (AA); ) [P=0.7;n=;g=FALSE;o=FALSE;I=;_RNT=0;_RDR=100000;_DCN=0;_NAA=6;_NPK=10;_MDF=9999;_CEN=FALSE;_XAN=FALSE;_BRK=FALSE;_BRM=FALSE]
### ===
Name: FAIPAINVTSSSTAVAALEAAR/2
LibID: 3829
MW: 2161.1731
PrecursorMZ: 1080.5866
Status: Normal
FullName: K.FAIPAINVTSSSTAVAALEAAR.D/2
Comment: AvePrecursorMz=1081.2350 BestRawSpectrum=lgillet_L120122_003.21975.21975 BinaryFileOffset=24442137 CollisionEnergy=0.0 ConsFracAssignedPeaks=0.720 DeltaCn=0.6150 DotConsensus=0.93,0.01;0/100 FracUnassigned=0.38,2/5;0.33,5/20;0.35,328/558 Inst=0 MassDiff=-0.0281 MassDiffCounts=1/0:100 MaxRepSN=31.9 Mods=0 NAA=22 NMC=0 NTT=2 Nreps=100/200 OrigMaxIntensity=9.7e+03 Parent=1080.59 Pep=Tryptic PrecursorIntensity=0 Prob=1.0000 ProbRange=1,1,1,1 Protein=1/YKL060C RepFracAssignedPeaks=0.433 RepNumPeaks=455.3/66.5 RetentionTime=6210.1,8377.0,5782.0 SN=200.0 Sample=1/_mnt_u07_lgillet_html_Sorcerer_Searches_1201_YeastPostDiauxic_interact-SequestAllCombined,100,200 Se=1^S100:dc=0.6250/0.0232,fv=7.2567/0.2167,pb=1.0000/0.0000,xc=4.6179/0.1759 Spec=Consensus TotalIonCurrent=1.8e+05 XCorr=5.1460
NumPeaks: 150
70.0666	1347.0	IPA/0.00,IPA/0.00,y1-35^2/-0.48	100/60 0.0013|0.29
86.0974	2116.6	IIA/0.00,IIA/0.00,IIA/0.00,IIA/0.00,ILA/0.00,ILA/0.00,INA/-0.96,INA/-0.96	100/60 0.0014|0.26
120.0812	737.8	a1/0.00,IFA/0.00,IFA/0.00	100/60 0.0019|0.33
141.1028	1862.0	y3-35^2/-0.48	100/60 0.0015|0.24
157.1336	386.9	y1-18/0.03	100/60 0.0060|0.38
158.0930	357.7	y1-17/0.00,b3-17^2/0.00	100/60 0.0027|0.40
169.0976	8114.0	?	100/60 0.0013|0.24
175.1190	1740.9	y1/0.00	100/60 0.0017|0.29
185.1272	413.9	?	100/60 0.0091|0.33
186.1238	1035.1	?	100/60 0.0024|0.31
191.1182	1561.6	a2/0.00	100/60 0.0021|0.26
211.1433	414.0	y2-35/0.02	100/60 0.0073|0.34
212.1036	340.2	y2-35i/-0.02	99/60 0.0039|0.37
214.1188	856.4	y4-18^2/-0.50,y4-17^2/-0.99	100/60 0.0031|0.29
219.1128	3759.1	b2/-0.00	100/60 0.0018|0.27
228.1344	1305.7	y2-18/-0.01	100/60 0.0029|0.29
238.1186	368.5	?	98/60 0.0045|0.39
245.1286	497.6	?	100/60 0.0041|0.38
246.1566	447.3	y2/0.00	100/60 0.0044|0.34
254.1865	1300.0	?	100/60 0.0030|0.27
282.1809	5129.8	y3-35/0.02	100/60 0.0021|0.26
283.1403	495.2	y3-35i/-0.02	100/60 0.0043|0.34
287.1749	639.3	?	98/60 0.0039|0.32
297.1564	353.5	y6-36^2/-0.52	84/60 0.0056|0.37
299.1732	585.8	y3-18/-0.01,b6-17^2/0.50	99/60 0.0073|0.36
299.1927	316.3	?	77/60 0.0170|0.41
314.1772	345.0	?	85/60 0.0075|0.39
315.1662	353.7	b3-17/-0.00	84/60 0.0054|0.37
316.1644	944.5	y6^2/0.48	100/60 0.0040|0.31
317.1925	2146.7	y3/-0.00	100/60 0.0037|0.29
327.2019	485.9	y7-46^2/-1.00	97/60 0.0051|0.37
332.1963	828.6	b3/-0.00,y7-36^2/-0.99	100/60 0.0044|0.31
351.2019	609.3	y7^2/0.00,a7^2/0.99	100/60 0.0053|0.35
351.2025	308.8	?	61/60 0.0146|0.39
353.2174	482.9	?	94/60 0.0054|0.36
359.2052	338.8	?	90/60 0.0069|0.37
365.1826	391.7	b7^2/0.97	91/60 0.0071|0.43
368.2269	589.2	?	99/60 0.0057|0.33
379.1965	752.3	y8-44^2/0.46	100/60 0.0068|0.30
379.2018	384.9	?	74/60 0.0159|0.43
382.2086	454.2	y8-36^2/-0.52	93/60 0.0075|0.34
385.2066	326.3	?	80/60 0.0077|0.44
387.2003	1500.0	?	100/60 0.0051|0.29
387.2042	632.6	?	77/60 0.0172|0.49
396.2220	5492.6	b8-34^2/-0.50	100/60 0.0030|0.29
396.2351	1376.3	[b8-34^2/-0.4830]	64/60 0.0219|0.74
401.2511	360.8	y8^2/0.52,a4/-0.00,y4-44/-0.99	89/60 0.0107|0.38
429.2366	368.2	y4-18i/0.01	85/60 0.0190|0.36
429.2466	669.5	b4/-0.00,y4-17/0.04	99/60 0.0073|0.37
432.2236	325.1	?	84/60 0.0065|0.43
446.2322	1084.8	y4/-0.00,b9-35^2/-0.52	100/60 0.0068|0.33
446.2370	527.1	?	91/60 0.0183|0.41
450.2678	488.4	a9^2/-0.00	100/60 0.0090|0.38
467.2946	1322.7	?	100/60 0.0069|0.31
467.2967	641.3	?	95/60 0.0196|0.41
472.2875	746.7	a5/-0.00	100/60 0.0066|0.36
472.2908	366.2	?	85/60 0.0190|0.40
478.2631	629.5	y10-17^2/-0.00,y10-18^2/0.49	100/60 0.0089|0.35
478.2670	359.1	?	82/60 0.0176|0.40
495.2901	3061.2	?	100/60 0.0064|0.31
495.2909	1196.3	?	90/60 0.0237|0.55
495.2951	633.9	?	64/60 0.0317|0.63
500.2830	2313.6	b5/-0.00	100/60 0.0064|0.30
500.2847	1023.7	[b5/-0.0020]	97/60 0.0216|0.49
500.2898	507.0	?	71/60 0.0338|0.55
559.3143	885.9	y5/-0.01	100/60 0.0097|0.39
559.3181	485.7	?	97/60 0.0214|0.36
578.3248	452.2	b12-34^2/0.53	99/60 0.0096|0.43
579.3080	314.1	?	93/60 0.0131|0.48
596.3325	621.3	b6-17/-0.01	100/60 0.0110|0.37
596.3406	374.0	?	92/60 0.0206|0.42
597.2992	339.4	b6-17i/-0.05	88/60 0.0118|0.43
613.3619	672.5	b6/-0.01,y6-17/0.03	100/60 0.0115|0.35
613.3633	409.4	?	91/60 0.0223|0.38
630.3522	1209.8	y6/-0.00,a13^2/-0.99	100/60 0.0105|0.30
630.3527	667.2	?	100/60 0.0226|0.38
630.3535	398.6	?	87/60 0.0371|0.46
683.3679	316.1	y7-18/-0.02,y7-17/-1.00,b7-45/0.98	97/60 0.0125|0.44
701.3857	2333.6	y7/-0.01	100/60 0.0093|0.32
701.3952	1097.1	[y7/0.0011]	100/60 0.0259|0.45
701.3959	387.1	?	65/60 0.0517|0.49
701.3970	658.0	?	93/60 0.0401|0.58
713.3887	356.3	b15-34^2/0.02,b15-35^2/0.51	100/60 0.0140|0.38
800.4541	738.6	?	100/60 0.0260|0.31
800.4553	1209.7	y8/-0.01,b17^2/-0.98	100/60 0.0126|0.38
800.4649	472.7	?	96/60 0.0394|0.39
826.4792	323.3	b8/-0.00,y9-46/0.99	100/60 0.0163|0.34
871.4911	1283.8	y9/-0.01	100/60 0.0117|0.38
871.4918	717.2	?	100/60 0.0300|0.31
871.4992	500.5	?	97/60 0.0416|0.39
871.5051	317.0	?	78/60 0.0536|0.38
914.9837	2305.2	y19^2/-0.01	100/60 0.0129|0.36
914.9837	1173.8	[y19^2/-0.0081]	99/60 0.0296|0.40
914.9888	633.6	?	93/60 0.0453|0.57
971.5266	327.4	y20^2/-0.01,b21-44^2/-0.01,b21-45^2/0.51,b21-46^2/1.00	99/60 0.0197|0.53
972.5362	1301.0	y10/-0.01	100/60 0.0171|0.31
972.5401	811.6	?	100/60 0.0278|0.38
972.5490	488.4	?	98/60 0.0445|0.42
972.5517	335.8	?	85/60 0.0596|0.42
1059.5675	1859.7	y11/-0.01,p-44^2/0.98	100/60 0.0157|0.37
1059.5729	462.8	?	94/60 0.0651|0.44
1059.5773	1162.7	[y11/-0.0020]	100/60 0.0297|0.34
1059.5827	712.3	?	100/60 0.0484|0.49
1059.6196	328.7	?	71/60 0.0635|0.43
1146.6016	2441.6	y12/-0.01	100/60 0.0147|0.34
1146.6040	1404.8	[y12/-0.0073]	100/60 0.0351|0.35
1146.6122	561.4	?	96/60 0.0696|0.52
1146.6140	857.0	?	100/60 0.0525|0.47
1146.6408	374.4	?	78/60 0.0787|0.49
1233.6333	4287.7	y13/-0.01	100/60 0.0147|0.34
1233.6336	482.9	?	86/60 0.0974|0.56
1233.6440	2217.8	[y13/0.0007]	100/60 0.0372|0.45
1233.6554	1299.6	[y13/0.0120]	100/60 0.0589|0.52
1233.6706	725.1	?	98/60 0.0761|0.56
1290.6551	376.9	b13/0.98,y14-44/-0.05	100/60 0.0263|0.37
1316.6707	414.8	y14-18/-0.01,y14-17/-0.99,b14-45/0.98	100/60 0.0274|0.34
1334.6793	10000.0	y14/-0.01	100/60 0.0148|0.10
1334.7118	681.0	?	87/60 0.1195|0.83
1334.7152	4324.5	[y14/0.0242]	100/60 0.0405|0.65
1334.7219	1160.4	[y14/0.0309]	96/60 0.0999|0.90
1334.7245	2026.3	[y14/0.0335]	99/60 0.0730|0.81
1334.6894	8199.7	y15	62/60 0.0589|0.79
1335.6790	603.4	y14i/-0.01	100/60 0.0214|0.33
1335.6818	433.3	?	99/60 0.0390|0.34
1433.7455	2049.3	y15/-0.01	100/60 0.0198|0.34
1433.7536	871.8	?	100/60 0.0599|0.42
1433.7620	1355.9	[y15/0.0026]	100/60 0.0324|0.33
1433.7635	395.5	?	92/60 0.0977|0.45
1433.7645	573.6	?	99/60 0.0755|0.43
1529.7799	445.5	y16-18/-0.01	98/60 0.0360|0.46
1530.7651	309.5	b16/-0.05,y16-17/-0.01	97/60 0.0347|0.39
1547.7921	5462.2	y16/-0.01	100/60 0.0170|0.37
1547.8069	2683.6	[y16/0.0045]	100/60 0.0422|0.39
1547.8226	592.4	?	97/60 0.1173|0.67
1547.8261	1599.7	[y16/0.0238]	100/60 0.0616|0.50
1547.8293	912.5	?	100/60 0.0890|0.63
1547.8712	413.8	?	87/60 0.1209|0.71
1548.7932	411.4	y16i/-0.01	100/60 0.0275|0.35
1660.8728	434.2	?	100/60 0.0630|0.34
1660.8740	598.4	?	100/60 0.0425|0.30
1660.8772	892.9	y17/-0.01	100/60 0.0299|0.37
1660.8870	332.6	?	91/60 0.0779|0.37
1731.9090	419.3	y18/-0.01	100/60 0.0313|0.31
1731.9153	311.0	?	100/60 0.0488|0.32
1828.8525	336.2	?	86/60 0.0332|0.50
1828.9618	1744.1	y19/-0.01	100/60 0.0272|0.36
1828.9639	1172.5	[y19/-0.0123]	100/60 0.0436|0.35
1828.9747	859.4	?	100/60 0.0630|0.40
1828.9854	541.7	?	100/60 0.0923|0.48
1829.0936	333.9	?	81/60 0.0271|0.47

Name: AAELDVLNDPK/2
LibID: 43
MW: 1185.6230
PrecursorMZ: 592.8115
Status: Normal
FullName: K.AAELDVLNDPK.I/2
Comment: AvePrecursorMz=593.1632 BinaryFileOffset=265269 CollisionEnergy=0.0 DeltaCn=0.4290 FracUnassigned=0.21,1/5;0.45,11/20;0.37,76/150 MassDiff=-0.0185 Mods=0 NAA=11 NMC=0 NTT=2 Nreps=1/1 OrigMaxIntensity=3.8e+03 Parent=592.811 Pep=Tryptic PrecursorIntensity=0 Prob=1.0000 Protein=1/YPR041W RawSpectrum=lgillet_L120124_003.14730.14730 RetentionTime=4064.0,4064.0,4064.0 Sample=1/_mnt_u07_lgillet_html_Sorcerer_Searches_1201_YeastPostDiauxic_interact-SequestAllCombined,1,1 Se=1^S1:pb=1.0000/0,fv=5.1761/0,xc=3.2380/0,dc=0.4290/0 Spec=Single TotalIonCurrent=7.1e+04 XCorr=3.2380
NumPeaks: 150
70.0641	638.2	IPA/-0.00,IPA/-0.00	
72.0801	891.7	b1/0.04,b2^2/0.04,IVA/-0.00,IVA/-0.00	
84.0454	429.0	?	
84.0798	408.1	?	
86.0978	1028.0	ILA/0.00,ILA/0.00,ILA/0.00,ILA/0.00	
102.0511	1028.0	IEA/-0.00,IEA/-0.00	
115.0798	567.6	?	
115.0858	1917.0	a2/-0.00,b3-44^2/0.52	
120.0802	481.3	?	
129.1009	905.0	y1-18/-0.00	
130.0850	287.7	y1-17/-0.00	
136.0736	5076.9	b3^2/-0.49	
143.0799	5273.3	b2/-0.00	
147.1098	766.4	y1/-0.00	
147.1159	300.8	?	
147.1210	337.4	?	
173.0927	397.3	?	
175.1058	361.0	b4-35^2/-0.48	
185.0906	287.7	b4-17^2/0.50	
185.1685	308.7	?	
187.1067	1666.2	?	
197.1268	729.8	?	
201.0825	951.8	y2-44/0.91	
201.0920	549.3	?	
201.1194	303.8	?	
203.1012	306.7	y2-44i/0.93	
207.1127	4645.6	?	
207.1334	285.4	?	
209.1337	287.7	y2-35/0.01	
215.1011	695.8	y4-46^2/0.98	
215.1386	1171.9	y4-44^2/0.01,y4-45^2/0.53	
225.1228	831.8	?	
226.1169	379.2	?	
226.1532	1449.1	y2-18/-0.00,b3-46/0.03	
226.1667	541.5	?	
229.1131	392.4	y2-17i/-0.03,y4-17^2/0.51,b5-44^2/0.49	
235.1067	2668.1	?	
243.1081	303.4	?	
243.1326	638.2	?	
244.1660	10000.0	y2/0.00,a3/0.04	
246.1826	389.7	y2i/0.02	
272.1222	7172.4	b3/-0.00,y5-44^2/0.45,y5-45^2/0.97	
286.1353	358.4	y5-17^2/0.99,a6^2/-0.02	
309.1011	308.7	?	
326.1323	303.4	y6-35^2/0.45,y6-36^2/0.95	
328.1793	499.6	?	
328.1941	515.3	?	
340.1472	870.5	b4-46i/-0.06	
340.1662	353.1	?	
342.1845	290.3	y3-17/0.02,b4-44/0.97	
343.1639	638.2	y6^2/-0.03,a7^2/0.46	
344.1558	293.0	y3-17i/-0.01	
347.2317	387.1	b7-18^2/-0.46,b7-17^2/-0.95	
350.1367	3434.5	b4-35/-0.03	
357.2157	504.5	b7^2/0.52,a4/0.00	
358.1589	392.4	a4i/-0.05	
358.1775	287.7	?	
359.1833	588.5	y3/-0.01	
359.2043	536.3	a4i/-0.01	
369.1523	343.0	b4-17/0.97	
385.1973	677.5	?	
385.2171	852.7	b4/0.01	
393.2210	284.5	?	
397.2202	306.0	?	
411.2214	1080.3	?	
421.1901	481.3	?	
421.2112	1062.0	?	
429.1844	329.3	y4-44/-0.06,y4-45/0.97	
439.1921	285.1	y4-35/0.99	
439.2207	928.6	y8-36^2/-0.02,y8-35^2/-0.51	
442.2353	612.1	?	
449.1896	303.4	?	
449.2064	593.5	y8-17^2/0.47,y8-18^2/0.96,b9-44^2/-0.03,b9-45^2/0.48,b9-46^2/0.98	
452.1973	387.0	?	
456.1894	614.2	y4-17/-0.02,b5-44/-0.06	
456.2136	582.8	y4-18i/-0.01	
457.2404	494.2	y8^2/-0.01,a9^2/0.01	
473.2253	1982.7	y4/-0.01	
473.2412	1365.4	a5i/0.00	
473.2734	594.1	?	
486.2174	290.3	?	
491.2238	345.6	?	
500.2331	803.0	b5/-0.00,y9-44^2/0.45,y9-45^2/0.97	
500.2489	483.9	?	
521.7752	303.4	y9^2/0.00	
528.2515	307.7	b10+18^2/-0.51	
552.2946	347.6	?	
554.2903	429.0	b6-46/0.99	
557.2613	598.7	y10^2/-0.03	
557.2947	303.4	?	
569.2977	392.4	p-46^2/-0.51,y5-17/0.00,y5-18/0.99	
572.2834	488.8	a6i/-0.03	
581.2803	306.0	?	
581.3084	313.3	b6-18/0.02,b6-17/-0.97	
586.2896	1697.6	[y5/-0.0299]	
586.3250	5992.7	y5/0.01	
586.3703	337.4	?	
589.2850	627.8	?	
589.3185	2158.0	?	
589.3454	1488.4	?	
589.3769	355.7	?	
592.3492	413.9	?	
592.7869	1184.9	[p^2/-0.0246]	
592.8243	1925.2	p^2/0.01	
599.2787	282.5	?	
599.3063	530.9	?	
599.3251	653.8	b6/0.02	
670.3287	437.4	?	
670.3558	355.7	?	
685.3626	1831.0	a7/0.97	
685.3942	1967.0	y6/0.01	
685.4188	465.6	?	
685.4262	410.7	?	
685.4452	285.1	?	
701.3481	284.8	?	
736.3894	7658.9	?	
736.4460	939.1	?	
737.3785	318.2	?	
737.4271	379.3	?	
781.3696	337.6	b8-45/-0.04,b8-46/0.94	
799.3571	303.4	a8/0.92	
800.3607	1140.5	[y7/-0.0541]	
800.3955	5532.3	y7/-0.02	
800.4310	5092.9	a8i/1.00	
800.4727	1035.8	[y7/0.0579]	
801.4191	306.0	y7i/0.00	
835.4294	308.5	?	
835.4499	368.8	?	
835.4684	711.5	?	
835.4857	855.3	?	
913.4274	353.1	?	
913.4537	918.1	?	
913.4868	3314.2	y8/-0.01,a9/0.02	
913.5197	2393.4	[y8/0.0208]	
941.4506	324.4	b9/-0.01	
950.4389	797.8	?	
950.4761	1566.8	?	
950.5020	1627.0	?	
950.5334	1062.0	?	
1021.5166	426.4	b10-17/0.03	
1021.5525	423.8	?	
1024.5153	397.6	y9-18/-0.02	
1042.5045	850.1	?	
1042.5350	1265.4	y9/-0.01	
1042.5577	1046.3	[y9/0.0162]	
1042.6211	449.9	?	
1147.5754	350.2	?	
1147.5819	370.9	?	
1166.6080	415.9	?	
1184.6034	2288.8	?