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diff test-data/input.msp @ 0:41c4de0ed4ec draft default tip

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planemo upload for repository https://github.com/computational-metabolomics/cfm-galaxy/tree/master/tools/cfm commit f0157bb3b01871411f27c1d5bd4ccee2039335d0
author computational-metabolomics
date Wed, 15 Nov 2023 16:28:04 +0000
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--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/input.msp	Wed Nov 15 16:28:04 2023 +0000
@@ -0,0 +1,61 @@
+NAME: 1
+PRECURSORMZ: 70.0658950805664
+Comment:
+Num Peaks: 8
+50.4781379699707	3487.4296875
+51.0193099975586	3390.96948242188
+53.0031509399414	10011.958984375
+53.5898513793945	4252.7880859375
+54.3787727355957	3541.5107421875
+69.0455169677734	9650.0107421875
+70.0660934448242	37168.609375
+82.9910659790039	4077.36694335938
+
+NAME: 2
+PRECURSORMZ: 72.0815277099609
+Comment:
+Num Peaks: 6
+51.773567199707	818.313903808594
+54.0346794128418	1247.91137695312
+54.6847991943359	967.616882324219
+56.050350189209	1780.01037597656
+58.4994125366211	975.196228027344
+72.0814056396484	1660.50390625
+
+NAME: 5
+PRECURSORMZ: 76.0400390625
+Comment:
+Num Peaks: 4
+53.2376174926758	3224.35571289062
+60.3291244506836	3193.19482421875
+73.7529830932617	3305.61401367188
+82.5309600830078	2965.41772460938
+
+NAME: 9
+PRECURSORMZ: 79.0218811035156
+Comment:
+Num Peaks: 5
+59.1125831604004	67799.1953125
+59.9673652648926	345613.1875
+62.9906845092773	117693.296875
+63.9986686706543	1585970.25
+80.5974655151367	66719.4609375
+
+NAME: 11
+PRECURSORMZ: 79.9903564453125
+Comment:
+Num Peaks: 3
+51.6917915344238	584.212829589844
+53.0398750305176	649.807922363281
+97.3154754638672	596.341003417969
+
+NAME: 19
+PRECURSORMZ: 86.0606536865234
+Comment:
+Num Peaks: 5
+53.0031509399414	29580.330078125
+55.3490409851074	4989.64990234375
+61.990592956543	4089.9619140625
+63.2290992736816	4168.97412109375
+67.6647109985352	5392.48779296875
+