diff test-data/remove_spectra/require_retention_time.msp @ 25:131baa30af82 draft default tip

planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit bd80a813fb2f01f22eed0c874f8911ce4d00762a
author recetox
date Mon, 30 Jun 2025 13:01:47 +0000
parents 9c12114c7aee
children
line wrap: on
line diff
--- a/test-data/remove_spectra/require_retention_time.msp	Thu Nov 14 15:14:06 2024 +0000
+++ b/test-data/remove_spectra/require_retention_time.msp	Mon Jun 30 13:01:47 2025 +0000
@@ -1,23 +1,23 @@
+COMPOUND_NAME: C001
 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
+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