diff test-data/file02.msp @ 27:0d59d313d3f8 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/file02.msp	Tue Jul 17 12:10:35 2018 -0400
@@ -0,0 +1,60 @@
+NAME: 9-1-212
+PRECURSORMZ: 79.0218887329102
+Comment:
+Num Peaks: 12
+53.1700401306152	2441.47143554688
+55.1893730163574	2006.07958984375
+58.9013671875	2539.39086914062
+59.9673500061035	13423.1376953125
+61.0115776062012	4831.0986328125
+62.9908828735352	3668.52905273438
+63.9986190795898	54386.6640625
+73.8388671875	2330.30126953125
+78.5768051147461	2563.25
+79.0221328735352	2581.44604492188
+96.8009872436523	2530.70141601562
+99.6652908325195	2961.3095703125
+
+NAME: 11-1-1284
+PRECURSORMZ: 79.9903564453125
+Comment:
+Num Peaks: 3
+51.6917915344238	584.212829589844
+53.0398750305176	649.807922363281
+97.3154754638672	596.341003417969
+
+NAME: 19-1-1497
+PRECURSORMZ: 86.060661315918
+Comment:
+Num Peaks: 4
+53.0031318664551	9658.7939453125
+53.1939277648926	1998.81518554688
+80.3447494506836	2044.23645019531
+101.307479858398	2181.85522460938
+
+NAME: 19-1-1498
+PRECURSORMZ: 86.0606307983398
+Comment:
+Num Peaks: 11
+52.6782836914062	1061.12646484375
+53.0032196044922	15176.8583984375
+53.1121788024902	1193.6044921875
+53.9984169006348	2790.28930664062
+54.0287094116211	999.250427246094
+56.7024726867676	1171.42797851562
+69.0346069335938	1878.03894042969
+72.9083633422852	1256.455078125
+74.0740356445312	1324.07055664062
+80.5324630737305	1329.61022949219
+91.0167770385742	1362.0029296875
+
+NAME: 19-1-1500
+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
+