diff test-data/file01.msp @ 18:49e063070647 draft

planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit a598583947118bd50cfe5ae12d955c20d6e502a6

--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/file01.msp	Tue Jul 17 12:30:24 2018 -0400
@@ -0,0 +1,64 @@
+NAME: 1-1-1483
+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: 2-1-1823
+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: 2-1-1857
+PRECURSORMZ: 72.08154296875
+Comment:
+Num Peaks: 4
+56.0504341125488	1838.78173828125
+59.9103507995605	701.556762695312
+63.7723731994629	650.224975585938
+72.0814590454102	760.228637695312
+
+NAME: 5-1-1606
+PRECURSORMZ: 76.0400390625
+Comment:
+Num Peaks: 4
+53.2376174926758	3224.35571289062
+60.3291244506836	3193.19482421875
+73.7529830932617	3305.61401367188
+82.5309600830078	2965.41772460938
+
+NAME: 9-1-177
+PRECURSORMZ: 79.0218658447266
+Comment:
+Num Peaks: 7
+53.6282501220703	15316.7431640625
+59.967342376709	251727.734375
+61.0115814208984	80113.8046875
+62.9908714294434	93065.1015625
+63.9986305236816	950876.9375
+79.0219345092773	33032.984375
+95.4936447143555	13826.033203125
+
+NAME: 9-1-184
+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
+