Mercurial > repos > recetox > qcxms_production_run

diff test-data/TMP.1_qcxms_start.txt @ 2:b566b27247f7 draft

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planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/qcxms commit 4018b84dd3c735d16f488094f001a19e634fe1a2
author recetox
date Fri, 08 Mar 2024 10:55:31 +0000
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--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/TMP.1_qcxms_start.txt	Fri Mar 08 10:55:31 2024 +0000
@@ -0,0 +1,9 @@
+   1
+  0.23866896224151D+00
+  0.89173254224222D+04
+ -0.18091580000000D-03  0.53537546000000D-04  0.34508200000000D-04  0.50383142501519D+00
+  0.10322794000000D-03 -0.29410216000000D-03 -0.13830620000000D-03  0.50383142501512D+00
+ -0.12351298000000D-02  0.10941877000000D-02 -0.68662608000000D-03  0.10000000000000D+01
+  0.39194769000000D-04 -0.86113874000000D-03 -0.14824698000000D-03  0.99998640424089D+00
+  0.73344203000000D-03  0.11470574000000D-02 -0.89203254000000D-04  0.99998640424076D+00
+  0.13882303000000D-02 -0.37015395000000D-03  0.30430224000000D-03  0.99999999999989D+00