Mercurial > repos > recetox > matchms_formatter

diff test-data/add_key/add_key_test2_out.msp @ 25:9287136a396a draft

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planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f14275bfdc2caa760d71d307ca1803eab1adde76
author recetox
date Wed, 13 Mar 2024 10:17:42 +0000
parents 34439ffa6a60
children
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--- a/test-data/add_key/add_key_test2_out.msp	Thu Feb 22 12:34:00 2024 +0000
+++ b/test-data/add_key/add_key_test2_out.msp	Wed Mar 13 10:17:42 2024 +0000
@@ -16,6 +16,7 @@
 CHARGE: 1
 PARENT_MASS: 251.08595400000002
 ADDUCT: [M]+
+TOOL_USED: matchms
 NUM PEAKS: 3
 250.07765   0.3282529462971431
 252.09323   1.0
@@ -39,6 +40,7 @@
 CHARGE: 1
 PARENT_MASS: 177.070224
 ADDUCT: [M]+
+TOOL_USED: matchms
 NUM PEAKS: 5
 152.0619    0.1657993569424221
 176.062     0.24558560966311757