changeset 7:fe8225dd25d3 draft

planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
author recetox
date Wed, 22 Nov 2023 14:42:38 +0000
parents 3fde8efbcf5a
children 8ff29dee9f26
files test-data/subsetting/identifier.csv test-data/subsetting/subsetting_output.msp test-data/subsetting/subsetting_output2.msp
diffstat 3 files changed, 203 insertions(+), 0 deletions(-) [+]
line wrap: on
line diff
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/subsetting/identifier.csv	Wed Nov 22 14:42:38 2023 +0000
@@ -0,0 +1,4 @@
+COMPOUND_NAME
+C001
+C002
+C004
\ No newline at end of file
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/subsetting/subsetting_output.msp	Wed Nov 22 14:42:38 2023 +0000
@@ -0,0 +1,139 @@
+IONMODE: Negative
+SPECTRUMTYPE: Centroid
+COMPOUND_NAME: C001
+RETENTION_TIME: 38.74
+RETENTION_INDEX: -1
+TOOL_USED: matchms
+NUM PEAKS: 57
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+IONMODE: Negative
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+IONMODE: Negative
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--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/subsetting/subsetting_output2.msp	Wed Nov 22 14:42:38 2023 +0000
@@ -0,0 +1,60 @@
+IONMODE: Negative
+SPECTRUMTYPE: Centroid
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+IONMODE: Negative
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