Mercurial > repos > computational-metabolomics > mspurity_puritya
view test-data/createMSP_output_av_all_and_all_xcms.msp @ 1:3d6356bcf998 draft
"planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 20d432cdc6326114d05c26fd51889b872513b57d"
author | computational-metabolomics |
---|---|
date | Thu, 05 Dec 2019 07:42:36 -0500 |
parents | 56cce1a90b73 |
children |
line wrap: on
line source
RECORD_TITLE: MZ:112.0508 | RT:67.5 | grpid:12 | file:NA | adduct:NA MS$FOCUSED_ION: PRECURSOR_M/Z 112.050766766484 AC$CHROMATOGRAPHY: RETENTION_TIME 67.47903 XCMS groupid (grpid): 12 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.12.0 PK$NUM_PEAK: 2 PK$PEAK: m/z int. rel.int. 112.050884246826 502873.46875 100 126.53768157959 2499.31469726562 0.5