Mercurial > repos > recetox > ramclustr
diff test-data/test4_spectra_csv_2.msp @ 0:36104baf75da draft
"planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit 4d2ac914c951166e386a94d8ebb8cb1becfac122"
author | recetox |
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date | Tue, 22 Mar 2022 16:09:16 +0000 |
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--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/test4_spectra_csv_2.msp Tue Mar 22 16:09:16 2022 +0000 @@ -0,0 +1,430 @@ +NAME:C01 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:88.6 +Num Peaks:14 +477.197784423828 18001838 +536.1640625 804471 +531.120971679688 693764 +528.099395751953 489327 +610.183410644531 288468 +538.161437988281 198517 +612.181274414062 105204 +500.104736328125 99498 +429.088195800781 94304 +520.137969970703 70949 +539.161560058594 55029 +408.10986328125 54777 +698.25390625 35262 +504.106689453125 33017 + +NAME:C02 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:91.9 +Num Peaks:13 +445.118927001953 1316181 +521.134979248047 404791 +446.119018554688 358676 +623.21337890625 312967 +239.105407714844 171842 +685.273254394531 115852 +699.272094726562 114712 +522.197998046875 92722 +503.178649902344 62452 +413.361190795898 61792 +668.175964355469 55513 +614.219604492188 29983 +403.584045410156 19485 + +NAME:C03 +IONMODE:Negative 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