cid_it_tryp_pmcr.txt

MS-Clustering is designed to rapidly cluster large MS/MS datasets. The program merges similar spectr

4	-1000000000.00000000	-2.00000000	-1.00000000	0.00000000
5	0.01136454	0.01136454	0.00993108	0.00000000	0.01136454
116	0.00000000	DIFF +1/-1 # STRONG PAIRS
5	-1000000000.00000000	-2.00000000	-1.00000000	0.00000000	1.00000000
6	0.00988783	0.00988783	0.02415983	0.01427200	0.02415983	0.00988783
118	0.00000000	DIFF +1/-1 # STRONG C2 PAIRS
2	-1000000000.00000000	-1.00000000
3	0.02503513	0.00000000	0.06212224
119	0.00000000	DIFF +1/-1 # H2O PAIRS
3	-1000000000.00000000	-2.00000000	2.00000000
4	0.00787290	0.00787290	0.00000000	0.00787290
120	0.00000000	DIFF +1/-1 # C2 H2O PAIRS
3	-1000000000.00000000	-1.00000000	0.00000000
4	0.00285988	0.00285988	0.00000000	0.00285988
121	0.00000000	DIFF +1/-1 INTEN PAIRS
10	-1000000000.00000000	-0.03162047	-0.01984879	-0.01231042	-0.00591976	0.00000000	0.00095142	0.01465870	0.02174257	0.03206806
11	0.09882991	0.05372725	0.15386959	0.09999939	0.05165122	0.04152889	0.14132291	0.13993143	0.14427324	0.16006563	0.15245014
122	0.00000000	DIFF +1/-1 INTEN STRONG PAIRS
5	-1000000000.00000000	-0.11832049	-0.00644582	0.01039999	0.07250681
6	0.00000000	0.00000000	0.13030030	0.12466347	0.12033380	0.00000000
123	0.00000000	DIFF +1/-1 INTEN C2 PAIRS
6	-1000000000.00000000	-0.01553179	-0.00602715	0.00000000	0.00347312	0.00958007
7	0.04559055	0.03645380	0.02289276	0.06409745	0.05376031	0.02818756	0.05108033
124	0.00000000	DIFF +1/-1 INTEN STRONG C2 PAIRS
2	-1000000000.00000000	-0.00114247
3	0.00391536	0.00000000	0.01708545
125	0.00000000	DIFF +1/-1 INTEN H2O PAIRS
11	-1000000000.00000000	-0.10201520	-0.04989187	-0.02970942	-0.00536042	0.00000000	0.00717697	0.01231168	0.03450865	0.06810451	0.10042616
12	0.12966065	0.11588874	0.21292630	0.23945125	0.18355951	0.15258242	0.26237195	0.26399946	0.30212794	0.32448157	0.21580714	0.16568127
126	0.00000000	DIFF +1/-1 INTEN C2 H2O PAIRS
4	-1000000000.00000000	-0.01365885	-0.00811852	0.00000000
5	0.00000000	0.00000000	0.07866783	0.08007704	0.00000000
0
127
71
0	0.00000000	OFFSET FROM MEASURED M/Z
9	-1000000000.00000000	-2.66467285	-2.36474609	-2.06469727	-1.96472168	-0.96472168	-0.76477051	-0.06469727	0.33532715
10	-0.43933382	-0.63813191	0.21962325	0.54725742	0.34850698	0.21260389	0.11328460	0.08587857	0.15757540	-0.13798860
1	0.00000000	OFFSET FROM MEASURED M/Z, NUM PAIRS <=2
11	-1000000000.00000000	-2.76477051	-2.36474609	-1.96472168	-1.76477051	-1.46472168	-1.26477051	-0.86474609	-0.76477051	-0.36474609	0.13525391
12	-0.52744724	-0.52744724	-0.25037204	-0.09439157	-0.14997896	-0.34282095	-0.32496935	-0.21695899	-0.24935435	-0.57232948	0.08088524	-0.52744724
2	0.00000000	OFFSET FROM MEASURED M/Z, NUM PAIRS <=4
3	-1000000000.00000000	-0.16467285	0.13525391
4	-0.09579087	-0.09579087	0.00000000	-0.09579087
4	0.00000000	OFFSET FROM MEASURED M/Z, NUM STRONG PAIRS <3
11	-1000000000.00000000	-2.76477051	-2.36474609	-1.96472168	-1.46472168	-1.06469727	-0.86474609	-0.76477051	-0.16467285	0.43530273	0.53527832
12	-0.48626321	-0.48626321	-0.46443392	-0.21496233	-0.31774275	-0.12908053	-0.14972289	-0.21632488	-0.39511263	-0.22315964	-0.46462521	-0.48124815
5	0.00000000	OFFSET FROM MEASURED M/Z, NUM STRONG PAIRS >=3
5	-1000000000.00000000	-1.96472168	-1.86474609	-0.16467285	0.13525391
6	-0.00517658	-0.00517658	-0.01495948	-0.04041830	0.01022329	-0.00517658
6	0.00000000	OFFSET FROM MEASURED M/Z, NUM C2 PAIRS <=2
10	-1000000000.00000000	-2.66467285	-2.06469727	-1.96472168	-0.46472168	-0.26477051	0.33532715	0.53527832	0.73522949	0.83532715
11	0.10280188	-0.00278226	0.04006181	0.03042345	0.01371652	0.09004608	0.35750219	0.28233243	0.25234662	0.22490677	0.18176605
9	0.00000000	OFFSET FROM MEASURED M/Z, NUM STRONG C2 PAIRS <3
14	-1000000000.00000000	-2.66467285	-2.36474609	-2.06469727	-1.96472168	-1.76477051	-1.56469727	-1.36474609	-1.16467285	-0.06469727	0.33532715	0.53527832	0.73522949	0.83532715
15	-0.98245771	-1.13139987	-0.63893451	-0.57359725	-0.66009152	-0.79262618	-0.83126172	-0.81838002	-0.48270812	-0.35768212	-0.25766447	-0.74080813	-0.76929086	-0.79230503	-0.89578330
11	0.00000000	# PAIRS
4	-1000000000.00000000	0.00000000	1.00000000	2.00000000
5	-0.01476243	-0.01476243	-0.00201539	0.03308900	-0.01476243
12	0.00000000	# STRONG PAIRS
3	-1000000000.00000000	1.00000000	2.00000000
4	0.00155984	-0.00693529	0.02083926	0.00756632
15	0.00000000	# H2O PAIRS
4	-1000000000.00000000	1.00000000	2.00000000	3.00000000
5	-0.24891653	-0.42134277	-0.16623790	0.03331224	0.22945766
17	0.00000000	INTEN PAIRS
3	-1000000000.00000000	0.00998163	0.02253651
4	-0.01079568	-0.01079568	0.00290119	-0.01079568
21	0.00000000	INTEN H2O PAIRS
8	-1000000000.00000000	0.00521375	0.00809791	0.01048827	0.01290143	0.02288700	0.03447306	0.07849874
9	-0.02911369	-0.16516570	-0.05526332	0.02014229	0.06130334	0.06699318	0.13262514	0.21151517	0.24712094
23	0.00000000	AVG OFFSET TOP (STRONG 2)
2	-1000000000.00000000	0.17213440
3	-0.00336633	0.00000000	-0.00683363
33	0.00000000	MEAN OFFSET PAIRS
4	-1000000000.00000000	0.10906982	0.18472290	0.36956787
5	0.00879455	0.00879455	-0.01120905	-0.00587846	0.00879455
34	0.00000000	WEIGHTED MEAN OFFSET PAIRS
5	-1000000000.00000000	0.02409617	0.04895020	0.18478394	0.19762166
6	-0.01110497	-0.01110497	-0.02448425	0.00000000	0.01337928	-0.01110497
35	0.00000000	MEAN OFFSET STRONG PAIRS
3	-1000000000.00000000	0.25000000	0.38139853
4	0.02811945	0.03785904	-0.03133418	-0.09097608
36	0.00000000	WEIGHTED MEAN OFFSET STRONG PAIRS
3	-1000000000.00000000	0.16720581	0.19069926
4	0.00258760	0.00258760	0.00000000	0.00258760
45	0.00000000	PAIR OFFSET (STRONG 1)
8	-1000000000.00000000	0.01016235	0.04083252	0.05114746	0.08172607	0.13482666	0.17883301	0.21221924
9	0.14911569	0.14911569	0.17071315	0.20225249	0.21906670	0.09449455	0.14172380	0.08354211	0.04722925
46	0.00000000	PAIR OFFSET (STRONG 2)
6	-1000000000.00000000	0.01873779	0.13385010	0.20074463	0.21325684	0.22573853
7	0.04970621	0.08991108	0.10715526	0.06242535	0.05589478	0.04397970	0.00000000
47	0.00000000	PAIR OFFSET (STRONG 3)
3	-1000000000.00000000	0.01577759	0.15576172
4	0.00309413	0.01175421	0.01427923	-0.00561878
50	0.00000000	C2 PAIR OFFSET (STRONG 1)
4	-1000000000.00000000	0.03219604	0.04321289	0.22177124
5	0.02492212	0.02492212	-0.00282987	-0.03247995	0.02492212
55	0.00000000	NUM STRICT 0
2	-1000000000.00000000	1.00000000
3	0.00015464	-0.00309983	0.00325448
56	0.00000000	INTEN STRICT 0
4	-1000000000.00000000	0.01263402	0.02359471	0.04029631
5	0.01812134	-0.04415496	0.01515045	0.03682102	0.04519820
57	0.00000000	NUM STRICT 1
4	-1000000000.00000000	0.00000000	1.00000000	2.00000000
5	0.04819321	-0.06920738	-0.05984042	-0.01474416	0.15597978
58	0.00000000	INTEN STRICT 1
4	-1000000000.00000000	0.00000000	0.00625264	0.01308279
5	0.06339784	-0.03240609	-0.02616955	0.06963437	0.14567556
60	0.00000000	INTEN STRICT 2
4	-1000000000.00000000	0.00258397	0.01519546	0.01956851
5	-0.00520189	-0.06757414	-0.05184902	-0.03924581	0.02901764
67	0.00000000	DIFF WITH -2 # PAIRS
3	-1000000000.00000000	-2.00000000	2.00000000
4	0.00000000	0.00000000	0.01061826	0.00000000
68	0.00000000	DIFF WITH -2 # STRONG PAIRS
3	-1000000000.00000000	-1.00000000	0.00000000
4	0.00579652	0.00579652	0.00000000	0.00579652
69	0.00000000	DIFF WITH -2 # C2 PAIRS
2	-1000000000.00000000	-1.00000000
3	-0.00032536	-0.00316793	0.01110841
71	0.00000000	DIFF WITH -2 # H2O PAIRS
4	-1000000000.00000000	-1.00000000	0.00000000	2.00000000
5	0.03749972	0.03749972	0.01144183	0.00000000	0.03749972
73	0.00000000	DIFF WITH -2 INTEN PAIRS
5	-1000000000.00000000	-0.02700362	-0.00480162	0.00000000	0.02480758
6	-0.00683741	-0.01146051	0.01078995	0.00565707	0.02289287	-0.00683741
74	0.00000000	DIFF WITH -2 INTEN STRONG PAIRS
7	-1000000000.00000000	-0.04000483	-0.02481536	-0.00080831	0.00000000	0.01020709	0.03255226
8	0.13489431	0.10425701	0.10679946	0.09490152	-0.00949582	0.12754652	0.13899982	0.15609653
75	0.00000000	DIFF WITH -2 INTEN C2 PAIRS
5	-1000000000.00000000	-0.00904422	-0.00405436	0.00195601	0.00899992
6	0.00251658	0.00251658	0.03247370	0.04501053	0.00000000	0.00251658
77	0.00000000	DIFF WITH -2 INTEN H2O PAIRS
5	-1000000000.00000000	-0.01127366	0.00000000	0.00350263	0.06734396
6	0.16810575	0.16810575	0.00000000	0.09330894	0.13531399	0.16810575
78	0.00000000	DIFF WITH -2 INTEN C2 H2O PAIRS
3	-1000000000.00000000	-0.01305096	0.00330446
4	-0.00299062	-0.01166626	-0.01713350	0.02305223
79	0.00000000	DIFF WITH -1 # PAIRS
5	-1000000000.00000000	-2.00000000	-1.00000000	0.00000000	1.00000000
6	0.04258128	0.04258128	0.03998793	0.05115966	0.00259335	0.04258128
80	0.00000000	DIFF WITH -1 # STRONG PAIRS
6	-1000000000.00000000	-3.00000000	-2.00000000	-1.00000000	0.00000000	1.00000000
7	0.01961143	0.01961143	0.02216560	0.05224796	0.05808501	0.00000000	0.01961143
82	0.00000000	DIFF WITH -1 # STRONG C2 PAIRS
3	-1000000000.00000000	-1.00000000	0.00000000
4	0.00000000	0.00000000	0.02626587	0.00000000
83	0.00000000	DIFF WITH -1 # H2O PAIRS
4	-1000000000.00000000	-1.00000000	1.00000000	2.00000000
5	0.02032861	0.02032861	0.00394173	0.00000000	0.02032861
84	0.00000000	DIFF WITH -1 # C2 H2O PAIRS
3	-1000000000.00000000	-1.00000000	0.00000000
4	0.02470994	0.02470994	0.00000000	0.02470994
85	0.00000000	DIFF WITH -1 INTEN PAIRS
6	-1000000000.00000000	-0.01246819	0.00000000	0.00244228	0.01113079	0.05120824
7	0.03264925	0.03264925	0.00000000	0.01391809	0.05071238	0.08168316	0.04266872
86	0.00000000	DIFF WITH -1 INTEN STRONG PAIRS
5	-1000000000.00000000	-0.14823017	-0.05179543	0.00000000	0.02995429
6	0.26227555	0.05639289	0.09778755	0.13062844	0.22937664	0.28576953
88	0.00000000	DIFF WITH -1 INTEN STRONG C2 PAIRS
3	-1000000000.00000000	-0.00346703	0.00698755
4	0.00000000	0.00000000	0.01434684	0.00000000
89	0.00000000	DIFF WITH -1 INTEN H2O PAIRS
13	-1000000000.00000000	-0.07070506	-0.04484849	-0.01527624	-0.01075924	-0.00673676	-0.00172324	0.00000000	0.01000042	0.01389955	0.01897666	0.03704858	0.05587513
14	0.47859054	0.19130372	0.28582591	0.31216600	0.23387620	0.23881600	0.21261097	0.12751448	0.29950605	0.22065714	0.19357014	0.35186092	0.35724183	0.47859054
90	0.00000000	DIFF WITH -1 INTEN C2 H2O PAIRS
4	-1000000000.00000000	-0.00821469	-0.00344322	0.00553793
5	0.03605479	0.03605479	0.00000000	0.03289897	0.03605479
91	0.00000000	DIFF WITH +1 # PAIRS
5	-1000000000.00000000	-2.00000000	0.00000000	1.00000000	2.00000000
6	-0.02007188	0.00000000	-0.11068698	-0.12507469	-0.10597982	-0.03523420
92	0.00000000	DIFF WITH +1 # STRONG PAIRS
5	-1000000000.00000000	-3.00000000	-1.00000000	0.00000000	1.00000000
6	-0.02372088	-0.02372088	-0.01511732	0.00000000	-0.07343949	-0.02372088
94	0.00000000	DIFF WITH +1 # STRONG C2 PAIRS
3	-1000000000.00000000	-1.00000000	0.00000000
4	-0.03189616	-0.03189616	0.00000000	-0.03189616
95	0.00000000	DIFF WITH +1 # H2O PAIRS
7	-1000000000.00000000	-4.00000000	-3.00000000	-1.00000000	0.00000000	1.00000000	2.00000000
8	-0.13650779	0.00000000	-0.02916781	-0.17147689	-0.26129572	-0.33997435	-0.38980900	-0.31118556
96	0.00000000	DIFF WITH +1 # C2 H2O PAIRS
3	-1000000000.00000000	-1.00000000	0.00000000
4	-0.00702817	-0.00702817	0.00000000	-0.00702817
97	0.00000000	DIFF WITH +1 INTEN PAIRS
7	-1000000000.00000000	-0.15682636	-0.00996076	-0.00034554	0.00624815	0.03337578	0.05473109
8	-0.02495584	-0.02099194	-0.00246213	0.02022548	-0.12321867	-0.08072262	-0.06774325	-0.03531274
98	0.00000000	DIFF WITH +1 INTEN STRONG PAIRS
6	-1000000000.00000000	-0.09173543	-0.03802619	-0.00494950	0.00000000	0.03118439
7	0.31951815	-0.04201586	-0.02077497	0.06993874	0.00000000	0.24605854	0.31599728
101	0.00000000	DIFF WITH +1 INTEN H2O PAIRS
9	-1000000000.00000000	-0.02990760	-0.02192056	-0.01621017	0.00000000	0.00686724	0.02300234	0.03387645	0.05264638
10	0.15035305	0.16829053	0.12571840	-0.01225845	-0.08556778	-0.07203902	-0.03649189	0.02818023	0.02283108	0.13179864
102	0.00000000	DIFF WITH +1 INTEN C2 H2O PAIRS
3	-1000000000.00000000	-0.00123576	0.00000000
4	-0.03508707	-0.01813419	0.00000000	-0.06666502
103	0.00000000	DIFF WITH +2 # PAIRS
4	-1000000000.00000000	-3.00000000	0.00000000	1.00000000
5	-0.04618043	-0.04618043	0.00000000	-0.10232082	-0.04618043
105	0.00000000	DIFF WITH +2 # C2 PAIRS
3	-1000000000.00000000	-1.00000000	0.00000000
4	0.00000000	0.00000000	-0.01380940	0.00000000
107	0.00000000	DIFF WITH +2 # H2O PAIRS
4	-1000000000.00000000	-2.00000000	-1.00000000	1.00000000
5	-0.01068110	-0.01068110	0.00000000	-0.00284040	-0.01068110
109	0.00000000	DIFF WITH +2 INTEN PAIRS
3	-1000000000.00000000	-0.00190730	0.00000000