Mercurial > repos > recetox > matchms_remove_spectra

diff test-data/split/one-per-file/2.msp @ 4:6fa0150f6172 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 13:00:00 +0000
parents 80df426e7e47
children
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--- a/test-data/split/one-per-file/2.msp	Thu Nov 14 15:07:02 2024 +0000
+++ b/test-data/split/one-per-file/2.msp	Mon Jun 30 13:00:00 2025 +0000
@@ -22,40 +22,40 @@
 MOLECULAR_FORMULA: C6H4Cl2O
 TOTAL_EXACT_MASS: 161.963920108
 NUM PEAKS: 36
-51.0        2.25
-53.0        6.4
-60.0        4.13
-61.0        9.78
-62.0        20.36
-63.0        32.41
-64.0        5.58
-71.0        2.16
-72.0        8.31
-73.0        13.57
-74.0        6.23
-75.0        5.23
-81.0        8.28
-82.0        5.27
-83.0        2.81
-91.0        2.06
-97.0        6.25
-98.0        25.55
-99.0        33.74
-100.0       9.84
-101.0       12.32
-107.0       2.31
-109.0       2.08
-126.0       7.67
-127.0       3.67
-128.0       2.81
-133.0       5.09
-134.0       7.44
-135.0       3.61
-136.0       4.75
-161.0       3.6
-162.0       99.99
-163.0       8.7
-164.0       62.28
-165.0       4.54
-166.0       9.78
+51.0	2.25
+53.0	6.4
+60.0	4.13
+61.0	9.78
+62.0	20.36
+63.0	32.41
+64.0	5.58
+71.0	2.16
+72.0	8.31
+73.0	13.57
+74.0	6.23
+75.0	5.23
+81.0	8.28
+82.0	5.27
+83.0	2.81
+91.0	2.06
+97.0	6.25
+98.0	25.55
+99.0	33.74
+100.0	9.84
+101.0	12.32
+107.0	2.31
+109.0	2.08
+126.0	7.67
+127.0	3.67
+128.0	2.81
+133.0	5.09
+134.0	7.44
+135.0	3.61
+136.0	4.75
+161.0	3.6
+162.0	99.99
+163.0	8.7
+164.0	62.28
+165.0	4.54
+166.0	9.78