diff test-data/remove_spectra/require_retention_time.msp @ 21:9c12114c7aee draft

planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 113433b8b9790405c2c5d054aee4a29a21b77dc7
author recetox
date Thu, 30 May 2024 18:10:10 +0000
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--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/remove_spectra/require_retention_time.msp	Thu May 30 18:10:10 2024 +0000
@@ -0,0 +1,23 @@
+IONMODE: negative
+SPECTRUMTYPE: Centroid
+COMPOUND_NAME: C001
+RETENTION_TIME: 38.74
+RETENTION_INDEX: None
+NUM PEAKS: 16
+138.9121    10186226.0
+175.0641    26780143.0
+196.8658    21390430.0
+198.8647    21688594.0
+206.9034    26130980.0
+254.8252    23747536.0
+258.8237    15532799.0
+266.8652    9805546.0
+312.7841    10051801.0
+316.7777    10734168.0
+372.7383    19374863.0
+382.8218    12815572.0
+392.7685    10913351.0
+434.7287    9943329.0
+440.7322    10603010.0
+488.6825    12267966.0
+