Mercurial > repos > recetox > matchms_formatter

diff test-data/split/chunk-size/chunk_2.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
line wrap: on
line diff
--- a/test-data/split/chunk-size/chunk_2.msp	Thu Nov 14 15:08:43 2024 +0000
+++ b/test-data/split/chunk-size/chunk_2.msp	Mon Jun 30 13:01:12 2025 +0000
@@ -22,71 +22,71 @@
 MOLECULAR_FORMULA: C6H3Cl3O
 TOTAL_EXACT_MASS: 195.924947756
 NUM PEAKS: 65
-51.0        2.58
-53.0        14.73
-59.0        2.03
-60.0        12.75
-61.0        30.62
-62.0        36.79
-63.0        19.11
-64.0        2.15
-65.0        5.23
-66.0        13.42
-67.0        7.46
-69.0        2.46
-71.0        6.55
-72.0        13.85
-73.0        16.02
-74.0        7.55
-75.0        4.47
-79.0        2.34
-80.0        8.06
-81.0        5.21
-82.0        3.22
-83.0        7.1
-84.0        6.05
-85.0        6.38
-86.0        2.53
-87.0        3.44
-89.0        1.93
-95.0        3.8
-96.0        33.63
-97.0        67.27
-98.0        25.02
-99.0        31.7
-100.0       5.86
-106.0       2.03
-107.0       8.66
-108.0       3.94
-109.0       6.55
-131.0       12.51
-132.0       48.06
-133.0       32.0
-134.0       33.42
-135.0       18.37
-136.0       6.55
-137.0       2.96
-149.0       6.48
-151.0       3.39
-160.0       10.69
-161.0       4.76
-162.0       10.76
-163.0       3.58
-164.0       3.61
-167.0       4.06
-169.0       3.89
-177.0       4.76
-179.0       2.94
-192.0       6.69
-194.0       4.64
-195.0       6.79
-196.0       99.99
-197.0       11.45
-198.0       92.58
-199.0       7.82
-200.0       29.54
-201.0       2.08
-202.0       3.15
+51.0	2.58
+53.0	14.73
+59.0	2.03
+60.0	12.75
+61.0	30.62
+62.0	36.79
+63.0	19.11
+64.0	2.15
+65.0	5.23
+66.0	13.42
+67.0	7.46
+69.0	2.46
+71.0	6.55
+72.0	13.85
+73.0	16.02
+74.0	7.55
+75.0	4.47
+79.0	2.34
+80.0	8.06
+81.0	5.21
+82.0	3.22
+83.0	7.1
+84.0	6.05
+85.0	6.38
+86.0	2.53
+87.0	3.44
+89.0	1.93
+95.0	3.8
+96.0	33.63
+97.0	67.27
+98.0	25.02
+99.0	31.7
+100.0	5.86
+106.0	2.03
+107.0	8.66
+108.0	3.94
+109.0	6.55
+131.0	12.51
+132.0	48.06
+133.0	32.0
+134.0	33.42
+135.0	18.37
+136.0	6.55
+137.0	2.96
+149.0	6.48
+151.0	3.39
+160.0	10.69
+161.0	4.76
+162.0	10.76
+163.0	3.58
+164.0	3.61
+167.0	4.06
+169.0	3.89
+177.0	4.76
+179.0	2.94
+192.0	6.69
+194.0	4.64
+195.0	6.79
+196.0	99.99
+197.0	11.45
+198.0	92.58
+199.0	7.82
+200.0	29.54
+201.0	2.08
+202.0	3.15
 
 NAME: 2,4,6-TRICHLOROPHENOL
 SYNONYM: 2,4,6-TRICHLOROPHENOL
@@ -112,70 +112,70 @@
 MOLECULAR_FORMULA: C6H3Cl3O
 TOTAL_EXACT_MASS: 195.924947756
 NUM PEAKS: 66
-53.0        14.63
-55.0        2.49
-57.0        2.2
-60.0        12.21
-61.0        32.06
-62.0        42.22
-63.0        36.9
-64.0        4.32
-65.0        8.43
-66.0        23.0
-67.0        12.65
-68.0        2.71
-71.0        6.78
-72.0        13.68
-73.0        17.64
-74.0        8.84
-75.0        5.57
-80.0        9.94
-81.0        8.84
-82.0        4.21
-83.0        8.62
-84.0        6.16
-85.0        5.83
-87.0        3.92
-89.0        2.2
-90.0        2.89
-91.0        2.09
-95.0        4.84
-96.0        34.11
-97.0        70.76
-98.0        39.72
-99.0        38.18
-100.0       10.63
-101.0       2.64
-106.0       2.45
-107.0       9.09
-108.0       3.77
-109.0       7.22
-111.0       2.23
-125.0       3.44
-126.0       8.91
-127.0       2.05
-128.0       3.52
-131.0       18.48
-132.0       57.96
-133.0       22.12
-134.0       40.71
-135.0       10.45
-136.0       7.81
-160.0       31.84
-161.0       5.2
-162.0       50.47
-163.0       5.2
-164.0       22.81
-166.0       5.57
-167.0       4.1
-168.0       2.56
-169.0       3.63
-195.0       3.59
-196.0       99.99
-197.0       9.68
-198.0       91.34
-199.0       7.07
-200.0       28.42
-201.0       2.09
-202.0       3.04
+53.0	14.63
+55.0	2.49
+57.0	2.2
+60.0	12.21
+61.0	32.06
+62.0	42.22
+63.0	36.9
+64.0	4.32
+65.0	8.43
+66.0	23.0
+67.0	12.65
+68.0	2.71
+71.0	6.78
+72.0	13.68
+73.0	17.64
+74.0	8.84
+75.0	5.57
+80.0	9.94
+81.0	8.84
+82.0	4.21
+83.0	8.62
+84.0	6.16
+85.0	5.83
+87.0	3.92
+89.0	2.2
+90.0	2.89
+91.0	2.09
+95.0	4.84
+96.0	34.11
+97.0	70.76
+98.0	39.72
+99.0	38.18
+100.0	10.63
+101.0	2.64
+106.0	2.45
+107.0	9.09
+108.0	3.77
+109.0	7.22
+111.0	2.23
+125.0	3.44
+126.0	8.91
+127.0	2.05
+128.0	3.52
+131.0	18.48
+132.0	57.96
+133.0	22.12
+134.0	40.71
+135.0	10.45
+136.0	7.81
+160.0	31.84
+161.0	5.2
+162.0	50.47
+163.0	5.2
+164.0	22.81
+166.0	5.57
+167.0	4.1
+168.0	2.56
+169.0	3.63
+195.0	3.59
+196.0	99.99
+197.0	9.68
+198.0	91.34
+199.0	7.07
+200.0	28.42
+201.0	2.09
+202.0	3.04