Mercurial > repos > recetox > matchms_formatter

diff test-data/split/one-per-file/5.msp @ 32:604131c54f97 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 13:01:12 +0000
parents 34439ffa6a60
children
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line diff
--- a/test-data/split/one-per-file/5.msp	Thu Nov 14 15:08:43 2024 +0000
+++ b/test-data/split/one-per-file/5.msp	Mon Jun 30 13:01:12 2025 +0000
@@ -22,46 +22,46 @@
 MOLECULAR_FORMULA: C6H4Cl2O
 TOTAL_EXACT_MASS: 161.963920108
 NUM PEAKS: 42
-51.0        4.43
-53.0        10.39
-60.0        9.21
-61.0        24.93
-62.0        43.19
-63.0        99.99
-64.0        12.57
-65.0        4.81
-66.0        3.39
-71.0        3.67
-72.0        15.34
-73.0        25.07
-74.0        11.84
-75.0        8.79
-81.0        4.78
-82.0        3.25
-83.0        2.63
-84.0        3.87
-85.0        2.49
-87.0        5.09
-89.0        2.21
-91.0        6.02
-96.0        3.11
-97.0        12.05
-98.0        35.88
-99.0        22.09
-100.0       13.5
-101.0       6.26
-107.0       3.33
-109.0       2.73
-125.0       3.11
-126.0       59.16
-127.0       5.61
-128.0       19.32
-133.0       5.33
-135.0       2.84
-161.0       2.52
-162.0       68.96
-163.0       6.51
-164.0       51.64
-165.0       2.9
-166.0       7.58
+51.0	4.43
+53.0	10.39
+60.0	9.21
+61.0	24.93
+62.0	43.19
+63.0	99.99
+64.0	12.57
+65.0	4.81
+66.0	3.39
+71.0	3.67
+72.0	15.34
+73.0	25.07
+74.0	11.84
+75.0	8.79
+81.0	4.78
+82.0	3.25
+83.0	2.63
+84.0	3.87
+85.0	2.49
+87.0	5.09
+89.0	2.21
+91.0	6.02
+96.0	3.11
+97.0	12.05
+98.0	35.88
+99.0	22.09
+100.0	13.5
+101.0	6.26
+107.0	3.33
+109.0	2.73
+125.0	3.11
+126.0	59.16
+127.0	5.61
+128.0	19.32
+133.0	5.33
+135.0	2.84
+161.0	2.52
+162.0	68.96
+163.0	6.51
+164.0	51.64
+165.0	2.9
+166.0	7.58