cid_it_tryp_pmcr.txt

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

89	0.00000000	DIFF WITH -1 INTEN H2O PAIRS
6	-1000000000.00000000	-0.04209861	-0.00683304	0.00000000	0.09373443	0.25948495
7	0.01463686	0.01463686	0.06031236	0.00481694	0.01627407	0.01145713	0.01463686
90	0.00000000	DIFF WITH -1 INTEN C2 H2O PAIRS
4	-1000000000.00000000	-0.02711285	0.02173705	0.02949571
5	0.05039641	0.05039641	0.00000000	0.01291240	0.05039641
91	0.00000000	DIFF WITH +1 # PAIRS
6	-1000000000.00000000	-5.00000000	-4.00000000	-3.00000000	0.00000000	1.00000000
7	0.03522277	0.03522277	-0.02424878	-0.03730190	-0.05947155	0.01305312	0.03522277
92	0.00000000	DIFF WITH +1 # STRONG PAIRS
6	-1000000000.00000000	-4.00000000	-3.00000000	0.00000000	1.00000000	2.00000000
7	0.09665707	0.09665707	-0.09130242	-0.18795949	-0.15077072	-0.03939438	0.09665707
94	0.00000000	DIFF WITH +1 # STRONG C2 PAIRS
3	-1000000000.00000000	-2.00000000	-1.00000000
4	-0.01052059	-0.01052059	0.00000000	-0.01052059
95	0.00000000	DIFF WITH +1 # H2O PAIRS
5	-1000000000.00000000	-4.00000000	-2.00000000	0.00000000	2.00000000
6	-0.04291144	0.04747867	-0.12204672	-0.26564787	-0.27725864	-0.20474545
96	0.00000000	DIFF WITH +1 # C2 H2O PAIRS
3	-1000000000.00000000	0.00000000	1.00000000
4	-0.00317489	-0.00317489	0.00000000	-0.00317489
97	0.00000000	DIFF WITH +1 INTEN PAIRS
8	-1000000000.00000000	-0.28852561	-0.03012948	0.00221291	0.01459770	0.03682891	0.09413023	0.16318414
9	-0.01753863	-0.01753863	-0.24480366	-0.22142305	0.07109385	-0.03737227	0.02128857	-0.00763264	-0.01753863
98	0.00000000	DIFF WITH +1 INTEN STRONG PAIRS
7	-1000000000.00000000	-0.43729642	-0.18136224	-0.02920155	-0.01746716	-0.00622782	0.00000000
8	-0.01595653	-0.01595653	-0.02463536	-0.05982886	-0.02427785	0.00000000	-0.05115003	-0.01595653
99	0.00000000	DIFF WITH +1 INTEN C2 PAIRS
5	-1000000000.00000000	-0.05304374	-0.01388215	0.01095344	0.09293379
6	0.00000000	0.00000000	-0.02835277	-0.06138972	-0.04579081	0.00000000
100	0.00000000	DIFF WITH +1 INTEN STRONG C2 PAIRS
4	-1000000000.00000000	-0.05096545	-0.01525179	0.02535575
5	0.00000000	0.00000000	-0.00892358	-0.02628793	0.00000000
101	0.00000000	DIFF WITH +1 INTEN H2O PAIRS
6	-1000000000.00000000	-0.20242976	-0.10396008	-0.00137813	0.09942870	0.18909204
7	-0.04990159	-0.00949874	-0.06416408	-0.05466534	-0.10435659	-0.16276674	-0.12067939
102	0.00000000	DIFF WITH +1 INTEN C2 H2O PAIRS
4	-1000000000.00000000	-0.01117199	0.01420114	0.07628400
5	0.00000000	0.00000000	-0.02675091	-0.07288150	0.00000000
103	0.00000000	DIFF WITH +2 # PAIRS
4	-1000000000.00000000	-5.00000000	-1.00000000	2.00000000
5	-0.01584558	-0.01584558	0.01966989	-0.00950160	-0.01584558
104	0.00000000	DIFF WITH +2 # STRONG PAIRS
6	-1000000000.00000000	-5.00000000	-2.00000000	-1.00000000	0.00000000	1.00000000
7	-0.08191738	-0.08191738	-0.07226712	0.02799922	-0.02012611	-0.03744725	-0.08191738
108	0.00000000	DIFF WITH +2 # C2 H2O PAIRS
3	-1000000000.00000000	-1.00000000	0.00000000
4	0.00663908	0.00663908	-0.00350920	0.00663908
109	0.00000000	DIFF WITH +2 INTEN PAIRS
8	-1000000000.00000000	-0.20028314	-0.07200084	0.00000000	0.01081558	0.04437554	0.06901240	0.19196407
9	0.24273826	-0.01237317	0.12256484	0.10955302	0.16110743	0.14415356	0.25548392	0.18345254	0.18034446
110	0.00000000	DIFF WITH +2 INTEN STRONG PAIRS
7	-1000000000.00000000	-0.19840008	-0.07079429	-0.00089354	0.00442708	0.04228217	0.18951203
8	0.08120594	0.02813238	0.07094004	0.05733024	-0.00731644	0.08537843	0.00238556	0.02975365
111	0.00000000	DIFF WITH +2 INTEN C2 PAIRS
5	-1000000000.00000000	-0.09601521	-0.01865209	-0.01236779	0.04783813
6	0.03559466	0.03559466	-0.04234177	-0.03315971	0.00890034	0.03559466
112	0.00000000	DIFF WITH +2 INTEN STRONG C2 PAIRS
8	-1000000000.00000000	-0.10834731	-0.06884988	-0.04823239	-0.02699972	0.00000000	0.00355867	0.01926264
9	0.04706035	0.04706035	0.02321698	-0.03855921	-0.05870901	0.02112927	-0.00977084	-0.03118156	0.04706035
113	0.00000000	DIFF WITH +2 INTEN H2O PAIRS
5	-1000000000.00000000	-0.17735729	-0.01472896	0.00944496	0.03610630
6	0.07074087	-0.00032838	0.02015917	-0.01096374	0.06010551	0.07074087
114	0.00000000	DIFF WITH +2 INTEN C2 H2O PAIRS
4	-1000000000.00000000	-0.07902470	-0.01091554	0.01412013
5	0.05902168	0.05902168	-0.02876689	0.05513056	0.05902168
115	0.00000000	DIFF +1/-1 # PAIRS
3	-1000000000.00000000	-3.00000000	0.00000000
4	0.00151569	0.00151569	0.00000000	0.00151569
116	0.00000000	DIFF +1/-1 # STRONG PAIRS
5	-1000000000.00000000	-5.00000000	-2.00000000	1.00000000	2.00000000
6	0.06195573	0.06195573	0.02585269	0.00000000	0.05539221	0.06195573
117	0.00000000	DIFF +1/-1 # C2 PAIRS
4	-1000000000.00000000	-1.00000000	0.00000000	1.00000000
5	0.03525331	0.03525331	0.00000000	0.01066602	0.03525331
119	0.00000000	DIFF +1/-1 # H2O PAIRS
5	-1000000000.00000000	-4.00000000	-1.00000000	1.00000000	2.00000000
6	0.11622845	0.02740860	0.00000000	0.01617760	0.10211185	0.15577090
120	0.00000000	DIFF +1/-1 # C2 H2O PAIRS
4	-1000000000.00000000	-2.00000000	-1.00000000	0.00000000
5	0.00000000	0.00000000	0.03257750	0.01910528	0.00000000
121	0.00000000	DIFF +1/-1 INTEN PAIRS
13	-1000000000.00000000	-0.32672992	-0.21353149	-0.12961756	-0.04686959	-0.02838683	-0.01656112	-0.00873942	-0.00223273	0.00000000	0.00188079	0.00852976	0.04377039
14	0.13582188	0.13582188	0.15227775	0.24607982	0.30905770	0.29961701	0.24409914	0.22293082	0.11126330	0.02070649	0.02227942	0.07662622	0.15652838	0.13582188
122	0.00000000	DIFF +1/-1 INTEN STRONG PAIRS
8	-1000000000.00000000	-0.32226223	-0.07633147	-0.01447967	0.00049448	0.01384095	0.06985901	0.11430657
9	0.05774297	0.05774297	0.06824542	0.07617148	0.01842851	0.03014118	0.07785321	0.04771203	0.05774297
123	0.00000000	DIFF +1/-1 INTEN C2 PAIRS
7	-1000000000.00000000	-0.04436591	-0.00409039	0.01432193	0.03975886	0.05417825	0.07440270
8	0.00480692	0.00480692	0.08643089	0.08162397	0.08643089	0.03119655	0.01446327	0.00480692
124	0.00000000	DIFF +1/-1 INTEN STRONG C2 PAIRS
5	-1000000000.00000000	-0.01745868	0.02196950	0.05214221	0.07442635
6	0.00000000	0.00000000	0.05380768	0.04002149	0.01855907	0.00216210
125	0.00000000	DIFF +1/-1 INTEN H2O PAIRS
5	-1000000000.00000000	-0.20197126	0.03396139	0.07632281	0.25319463
6	0.04337383	0.04337383	0.06636491	0.06481577	0.00000000	0.04337383
126	0.00000000	DIFF +1/-1 INTEN C2 H2O PAIRS
7	-1000000000.00000000	-0.03616165	-0.01279049	0.00094004	0.01176147	0.02355349	0.03188207
8	0.05617880	0.05617880	0.04816799	0.08865587	0.01637129	0.02274083	0.08057649	0.05617880
0
127
97
0	0.00000000	OFFSET FROM MEASURED M/Z
13	-1000000000.00000000	-1.45397949	-1.05395508	-0.95397949	-0.85394287	-0.65399170	-0.60394287	-0.50396729	-0.40399170	-0.00396729	0.09600830	0.19604492	0.69604492
14	-0.28394851	-0.28394851	-0.17995849	-0.09149886	0.07548783	-0.00494340	0.00079520	0.28193641	0.42351054	0.43821032	0.12064905	0.00218990	-0.12353475	-0.28394851
1	0.00000000	OFFSET FROM MEASURED M/Z, NUM PAIRS <=2
7	-1000000000.00000000	-1.75396729	-1.30395508	-0.95397949	-0.50396729	0.24603271	0.44604492
8	0.01242601	0.01242601	0.04955889	-0.02580924	0.00976401	-0.02781774	-0.01707408	0.01242601
2	0.00000000	OFFSET FROM MEASURED M/Z, NUM PAIRS <=4
4	-1000000000.00000000	-0.55395508	-0.45397949	0.34600830
5	-0.05082212	-0.05082212	-0.03603528	0.00290399	-0.05082212
3	0.00000000	OFFSET FROM MEASURED M/Z, NUM PAIRS >4
6	-1000000000.00000000	-0.90399170	-0.80395508	-0.45397949	-0.25396729	-0.05395508
7	0.17843060	0.10299985	0.09536096	0.01393452	0.07627672	0.04344874	0.25173889
4	0.00000000	OFFSET FROM MEASURED M/Z, NUM STRONG PAIRS <3
12	-1000000000.00000000	-1.75396729	-1.45397949	-1.30395508	-1.00396729	-0.80395508	-0.60394287	-0.45397949	-0.15399170	0.04602051	0.34600830	0.69604492
13	0.11411690	0.11411690	0.13760300	0.40847049	0.37116237	0.50012618	0.41749381	0.44730409	0.51032474	0.48983579	0.33099932	0.15126789	0.11411690
5	0.00000000	OFFSET FROM MEASURED M/Z, NUM STRONG PAIRS >=3
7	-1000000000.00000000	-1.75396729	-0.50396729	-0.45397949	-0.25396729	-0.05395508	-0.00396729
8	0.73992437	-0.45026730	0.64064514	0.71747232	0.79272665	0.66790538	0.97035150	0.83053421
6	0.00000000	OFFSET FROM MEASURED M/Z, NUM C2 PAIRS <=2
8	-1000000000.00000000	-1.70397949	-1.30395508	-0.95397949	-0.85394287	-0.75396729	-0.40399170	-0.10394287
9	0.09355598	0.09355598	0.09493513	0.07873865	0.09156795	0.08767387	0.00858579	0.06869265	0.09355598
9	0.00000000	OFFSET FROM MEASURED M/Z, NUM STRONG C2 PAIRS <3
10	-1000000000.00000000	-1.05395508	-0.95397949	-0.85394287	-0.75396729	-0.50396729	-0.40399170	-0.30395508	-0.20397949	0.19604492
11	-0.21199103	-0.21199103	-0.18657898	-0.09606450	-0.10341255	-0.11759613	-0.04933496	-0.02153163	-0.09522934	-0.15342165	-0.21199103
12	0.00000000	# STRONG PAIRS
4	-1000000000.00000000	1.00000000	2.00000000	3.00000000
5	-0.00174256	-0.00174256	0.10036477	-0.08302700	-0.00032218
15	0.00000000	# H2O PAIRS
6	-1000000000.00000000	0.00000000	1.00000000	2.00000000	3.00000000	4.00000000
7	0.08934061	-0.12065518	-0.08966037	-0.01433807	0.09333641	0.20735205	0.24337198
17	0.00000000	INTEN PAIRS
5	-1000000000.00000000	0.00083150	0.01170667	0.03652095	0.16877188
6	0.00264574	0.00835364	0.02293186	-0.00722430	-0.02341831	-0.00330627
18	0.00000000	INTEN STRONG PAIRS
3	-1000000000.00000000	0.00000000	0.06295623
4	-0.00724363	-0.00724363	0.00446444	-0.00724363
19	0.00000000	INTEN C2 PAIRS
4	-1000000000.00000000	0.01579964	0.02309031	0.05559609
5	-0.00572126	-0.00572126	0.00309421	0.00029218	-0.00572126
20	0.00000000	INTEN STRONG C2 PAIRS
3	-1000000000.00000000	0.02315605	0.03598947
4	0.00618567	0.00618567	-0.00925904	0.00618567
21	0.00000000	INTEN H2O PAIRS
6	-1000000000.00000000	0.00000000	0.01537086	0.02627766	0.05140042	0.29256326
7	-0.04222990	-0.07800284	-0.02731090	0.04321027	0.06697203	0.08149853	0.02344370
22	0.00000000	INTEN C2 H2O PAIRS
5	-1000000000.00000000	0.00000000	0.01132035	0.04882711	0.05858239
6	0.00793817	0.00793817	-0.00889649	0.00379982	-0.03554049	0.00793817
24	0.00000000	AVG OFFSET TOP (STRONG 3)
5	-1000000000.00000000	0.09004211	0.14031474	0.19230652	0.20162964
6	0.01148802	0.03753405	0.04333527	0.03893293	0.03753405	-0.00297542
25	0.00000000	AVG OFFSET TOP (STRONG 4)
10	-1000000000.00000000	0.05455017	0.08213425	0.08866119	0.10113144	0.10693741	0.14651871	0.15275574	0.17512131	0.18423462
11	0.05853430	0.11210636	0.11980337	0.15059613	0.15211085	0.14141180	0.15211085	0.08510046	0.09327355	0.08063672	0.01887214
26	0.00000000	AVG OFFSET TOP (STRONG 5)
6	-1000000000.00000000	0.05400391	0.12260132	0.12742920	0.13219604	0.19856262
7	0.01860754	0.01860754	0.09881885	0.08021131	0.08978517	0.09881885	0.01860754
27	0.00000000	AVG OFFSET TOP (STRONG 6)
3	-1000000000.00000000	0.07024129	0.16695912
4	0.00000000	0.00000000	0.07302384	0.00000000
34	0.00000000	WEIGHTED MEAN OFFSET PAIRS
6	-1000000000.00000000	0.01457892	0.02317098	0.04712423	0.09089152	0.18290710
7	-0.02366982	0.01411453	0.00847584	-0.05524886	-0.04958736	-0.05524886	-0.04961017
35	0.00000000	MEAN OFFSET STRONG PAIRS
7	-1000000000.00000000	0.16587321	0.34246826	0.36887613	0.39420572	0.40617880	0.41747031
8	0.03736602	0.03736602	-0.00721465	-0.02857996	-0.01082976	-0.00884501	0.00104914	0.03736602
36	0.00000000	WEIGHTED MEAN OFFSET STRONG PAIRS
9	-1000000000.00000000	0.01904678	0.03620402	0.07178073	0.17123413	0.18443806	0.19710286	0.20308940	0.20873515
10	0.09630470	0.09630470	0.02431144	-0.03360082	0.00159122	-0.03120310	0.00594505	0.01178889	0.06206851	0.09630470
37	0.00000000	MEAN OFFSET C2 PAIRS
6	-1000000000.00000000	0.22333781	0.24735515	0.33745322	0.39615884	0.41548666
7	-0.00116691	-0.00116691	0.00442129	0.00017078	-0.02239466	0.01524123	-0.00116691
38	0.00000000	WEIGHTED MEAN OFFSET C2 PAIRS
6	-1000000000.00000000	0.05169678	0.09922282	0.16858928	0.19807942	0.20774333
7	-0.00239739	-0.00239739	0.00040404	-0.00471370	-0.01078634	0.00070398	-0.00239739
45	0.00000000	PAIR OFFSET (STRONG 1)
8	-1000000000.00000000	0.03247070	0.08551025	0.11755371	0.12857056	0.15145874	0.22546387	0.24548340
9	0.01887911	0.01887911	0.01594487	0.01453806	0.04494251	0.05673701	-0.02677551	-0.01882857	0.01887911
46	0.00000000	PAIR OFFSET (STRONG 2)
9	-1000000000.00000000	0.01953125	0.05941772	0.06939697	0.07940674	0.13159180	0.15258789	0.16357422	0.24249268
10	0.04554024	0.04554024	0.03825447	0.03667195	0.02137431	0.01819075	0.01958544	0.01517297	0.00139469	0.04554024
47	0.00000000	PAIR OFFSET (STRONG 3)
3	-1000000000.00000000	0.05450439	0.22549438
4	0.00000000	0.00000000	-0.00944941	0.00000000
48	0.00000000	PAIR OFFSET (STRONG 4)
3	-1000000000.00000000	0.05145264	0.18054199
4	0.00724152	0.00724152	0.00000000	0.00724152
49	0.00000000	PAIR OFFSET (STRONG 5)
4	-1000000000.00000000	0.16043091	0.18551636	0.19750977
5	0.01059205	0.01059205	0.00000000	0.00295274	0.01059205
50	0.00000000	C2 PAIR OFFSET (STRONG 1)
6	-1000000000.00000000	0.03240967	0.09558105	0.14845276	0.19061279	0.24261475
7	0.02207893	0.05673686	0.04808191	0.05594018	-0.00406783	0.04219560	-0.01580149
51	0.00000000	C2 PAIR OFFSET (STRONG 2)
4	-1000000000.00000000	0.07260132	0.10446167	0.15747070
5	0.01978327	0.01978327	0.00982240	0.00000000	0.01978327
55	0.00000000	NUM STRICT 0
4	-1000000000.00000000	1.00000000	2.00000000	3.00000000
5	-0.03066198	-0.11414069	0.03299343	0.17977097	0.21684076
56	0.00000000	INTEN STRICT 0
6	-1000000000.00000000	0.00202184	0.01948308	0.03115423	0.03963359	0.09167949
7	-0.01723285	-0.06719024	-0.01975562	0.02771442	0.05048256	0.05480252	0.0