Mercurial > repos > recetox > matchms_metadata_merge

diff test-data/split/one-per-file/1.msp @ 17:e23c14cee5a9 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 13:03:32 +0000
parents 99ad7552fb10
children
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line diff
--- a/test-data/split/one-per-file/1.msp	Thu Nov 14 15:09:15 2024 +0000
+++ b/test-data/split/one-per-file/1.msp	Mon Jun 30 13:03:32 2025 +0000
@@ -22,68 +22,68 @@
 MOLECULAR_FORMULA: C6H4N2O5
 TOTAL_EXACT_MASS: 184.01202122799998
 NUM PEAKS: 64
-51.0        27.22
-52.0        19.9
-53.0        61.8
-54.0        6.76
-55.0        13.95
-56.0        3.86
-57.0        11.52
-60.0        6.43
-61.0        13.38
-62.0        36.19
-63.0        61.37
-64.0        26.2
-65.0        6.74
-66.0        5.1
-67.0        7.43
-68.0        10.32
-69.0        29.16
-70.0        5.53
-71.0        6.11
-73.0        4.14
-74.0        3.92
-75.0        3.49
-76.0        4.33
-77.0        6.21
-78.0        5.1
-79.0        35.07
-80.0        9.85
-81.0        16.0
-82.0        5.37
-83.0        6.13
-84.0        2.96
-85.0        3.0
-90.0        12.01
-91.0        53.25
-92.0        28.32
-93.0        18.25
-94.0        3.51
-95.0        6.41
-96.0        5.43
-97.0        5.12
-98.0        2.43
-105.0       3.76
-106.0       6.35
-107.0       38.97
-108.0       7.11
-109.0       3.98
-111.0       2.63
-120.0       2.12
-121.0       4.45
-122.0       4.0
-123.0       3.14
-126.0       2.12
-136.0       2.77
-137.0       3.14
-138.0       3.55
-149.0       4.12
-153.0       4.02
-154.0       39.3
-155.0       3.16
-168.0       3.29
-183.0       3.26
-184.0       99.99
-185.0       8.17
-186.0       1.34
+51.0	27.22
+52.0	19.9
+53.0	61.8
+54.0	6.76
+55.0	13.95
+56.0	3.86
+57.0	11.52
+60.0	6.43
+61.0	13.38
+62.0	36.19
+63.0	61.37
+64.0	26.2
+65.0	6.74
+66.0	5.1
+67.0	7.43
+68.0	10.32
+69.0	29.16
+70.0	5.53
+71.0	6.11
+73.0	4.14
+74.0	3.92
+75.0	3.49
+76.0	4.33
+77.0	6.21
+78.0	5.1
+79.0	35.07
+80.0	9.85
+81.0	16.0
+82.0	5.37
+83.0	6.13
+84.0	2.96
+85.0	3.0
+90.0	12.01
+91.0	53.25
+92.0	28.32
+93.0	18.25
+94.0	3.51
+95.0	6.41
+96.0	5.43
+97.0	5.12
+98.0	2.43
+105.0	3.76
+106.0	6.35
+107.0	38.97
+108.0	7.11
+109.0	3.98
+111.0	2.63
+120.0	2.12
+121.0	4.45
+122.0	4.0
+123.0	3.14
+126.0	2.12
+136.0	2.77
+137.0	3.14
+138.0	3.55
+149.0	4.12
+153.0	4.02
+154.0	39.3
+155.0	3.16
+168.0	3.29
+183.0	3.26
+184.0	99.99
+185.0	8.17
+186.0	1.34