Mercurial > repos > recetox > matchms_split

changeset 11:1dcd8b0bd608 draft

Find changesets by keywords (author, files, the commit message), revision number or hash, or revset expression.
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 970c7dc210faacd545c740ddae0e5e78c2cecce4
author recetox
date Mon, 04 Dec 2023 19:12:05 +0000
parents 5bdb8e7841f4
children eba733715eaf
files test-data/out_matchms_remove_key.msp
diffstat 1 files changed, 188 insertions(+), 0 deletions(-) [+]
line wrap: on
line diff
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/out_matchms_remove_key.msp	Mon Dec 04 19:12:05 2023 +0000
@@ -0,0 +1,188 @@
+NAME:C001
+RETENTIONTIME:38.74
+RETENTIONINDEX: -1
+SPECTRUMTYPE:Centroid
+Num Peaks:57
+216.9205 32607700
+256.8215 31377637
+175.0641 26780143
+206.9034 26130980
+254.8252 23747536
+198.8647 21688594
+196.8658 21390430
+372.7383 19374863
+258.8237 15532799
+382.8218 12815572
+488.6825 12267966
+392.7685 10913351
+316.7777 10734168
+440.7322 10603010
+138.9121 10186226
+312.7841 10051801
+434.7287 9943329
+266.8652 9805546
+370.7418 9765463
+450.7016 8762673
+324.9549 8619910
+428.7834 8554675
+384.8177 8311500
+442.7401 8271752
+200.8848 7742528
+492.744 7662344
+494.8953 7188793
+546.6093 7177067
+498.8794 6811405
+500.8484 6520691
+322.8157 6317648
+350.9875 6150799
+550.6949 6104789
+426.7772 5431633
+566.5977 5171811
+510.763 4989757
+486.7743 4886062
+460.7076 4528973
+484.7242 4273989
+518.7415 4243468
+334.849 4178412
+413.2664 3965867
+436.8161 3705247
+502.7832 3567833
+342.8093 3285552
+366.8281 3253770
+306.9914 3169316
+268.8537 3090354
+800.4451 2792137
+186.1095 2675456
+234.0134 2550129
+462.7862 2123666
+349.9455 2050695
+612.6927 2005587
+676.6436 1982714
+351.941 1965882
+148.9337 1008656
+
+NAME:C002
+RETENTIONTIME:520.25
+RETENTIONINDEX: 1234.5
+SPECTRUMTYPE:Centroid
+Num Peaks:35
+525.375 1073323842
+310.1623 295359836
+526.3783 181668883
+1047.7378 150394804
+551.3321 111616808
+1048.7399 90978863
+289.6491 46498377
+312.0296 38757284
+1075.1968 33352763
+1049.7432 29946438
+552.3348 28340614
+813.5403 25060147
+527.3812 23642795
+309.1649 18045974
+301.1565 15185412
+311.1658 13124727
+330.6757 12666597
+624.296 11790213
+1076.2004 10417953
+578.2905 7578406
+562.3269 7538206
+1050.7453 6807767
+267.2688 6103973
+814.5336 5865975
+1069.7158 5074652
+619.3008 4742103
+1216.8041 4439324
+1206.3127 3738816
+1217.807 3565334
+1074.1979 3402288
+553.3314 2609936
+955.1171 2322927
+1101.6535 2023916
+131.1733 1971789
+279.0196 1946255
+
+NAME:C003
+RETENTIONTIME:483.67
+SPECTRUMTYPE:Centroid
+Num Peaks:26
+522.3565 4089569222
+523.354 1201714423
+288.6414 202172046
+1043.7028 144351468
+1044.7068 83271854
+549.3267 63300808
+279.6362 29849749
+1045.706 27998321
+1058.1594 20718345
+1071.1639 15461047
+378.2093 15309961
+796.9808 13576738
+809.9883 12596682
+265.2529 11366224
+280.6546 8848921
+576.2749 7386007
+1059.1626 6608764
+810.9916 6601055
+1046.7131 6505178
+797.9841 6368973
+1072.1671 5096642
+625.4543 4040374
+379.1966 2902366
+577.3074 2354251
+617.2778 2323470
+266.2564 1420444
+
+NAME:C004
+RETENTIONTIME:473.48
+SPECTRUMTYPE:Centroid
+Num Peaks:24
+496.34 12577588056
+497.3442 3337125302
+991.6726 1420557258
+992.6749 763118028
+498.3462 532285213
+993.6787 239161906
+296.147 190395687
+1017.6897 168186952
+482.3247 145772322
+1018.6656 120599518
+499.3493 68176083
+1019.6555 57647644
+994.6801 53549573
+770.964 49250157
+483.3283 36245876
+275.6336 28001849
+771.9675 22666873
+1020.6591 12469103
+783.9721 9839299
+949.6233 8009033
+124.1405 6517662
+950.6274 3674694
+784.9749 3622908
+170.2437 1237313
+
+NAME:C005
+RETENTIONTIME:41.72
+SPECTRUMTYPE:Centroid
+Num Peaks:20
+337.0623 88672453
+359.0443 48435582
+353.0361 37061354
+375.018 29159485
+218.1386 14009249
+417.0027 13822994
+381.0261 13522755
+438.9851 11307111
+396.9999 10317665
+454.9592 9820452
+432.9764 9779399
+338.0654 8770055
+360.0459 5025128
+418.9966 4386311
+512.8989 4072570
+456.9603 3774845
+470.9263 3632486
+572.871 3485486
+440.9796 3364168
+376.0216 2740193