Mercurial > repos > recetox > matchms_subsetting

diff test-data/split/one-per-file/3.msp @ 18:6ac4a790adad draft default tip

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planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit bd80a813fb2f01f22eed0c874f8911ce4d00762a
author recetox
date Mon, 30 Jun 2025 13:05:31 +0000
parents 4ef214cf07c1
children
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--- a/test-data/split/one-per-file/3.msp	Thu Nov 14 15:13:02 2024 +0000
+++ b/test-data/split/one-per-file/3.msp	Mon Jun 30 13:05:31 2025 +0000
@@ -22,48 +22,48 @@
 MOLECULAR_FORMULA: C6H4Cl2O
 TOTAL_EXACT_MASS: 161.963920108
 NUM PEAKS: 44
-51.0        5.05
-52.0        2.29
-53.0        22.87
-59.0        3.69
-60.0        16.58
-61.0        33.26
-62.0        62.1
-63.0        99.99
-64.0        11.61
-65.0        2.73
-66.0        4.11
-71.0        2.98
-72.0        12.03
-73.0        32.28
-74.0        12.69
-75.0        11.42
-81.0        6.65
-82.0        4.64
-83.0        3.82
-84.0        3.02
-85.0        2.81
-87.0        2.86
-89.0        2.17
-90.0        2.05
-91.0        6.28
-96.0        3.57
-97.0        15.64
-98.0        39.0
-99.0        33.72
-100.0       13.84
-101.0       10.87
-126.0       9.01
-127.0       3.11
-128.0       3.25
-133.0       6.28
-134.0       4.28
-135.0       4.21
-136.0       2.59
-161.0       11.74
-162.0       89.04
-163.0       12.37
-164.0       52.89
-165.0       4.62
-166.0       8.78
+51.0	5.05
+52.0	2.29
+53.0	22.87
+59.0	3.69
+60.0	16.58
+61.0	33.26
+62.0	62.1
+63.0	99.99
+64.0	11.61
+65.0	2.73
+66.0	4.11
+71.0	2.98
+72.0	12.03
+73.0	32.28
+74.0	12.69
+75.0	11.42
+81.0	6.65
+82.0	4.64
+83.0	3.82
+84.0	3.02
+85.0	2.81
+87.0	2.86
+89.0	2.17
+90.0	2.05
+91.0	6.28
+96.0	3.57
+97.0	15.64
+98.0	39.0
+99.0	33.72
+100.0	13.84
+101.0	10.87
+126.0	9.01
+127.0	3.11
+128.0	3.25
+133.0	6.28
+134.0	4.28
+135.0	4.21
+136.0	2.59
+161.0	11.74
+162.0	89.04
+163.0	12.37
+164.0	52.89
+165.0	4.62
+166.0	8.78