Mercurial > repos > recetox > qcxms_getres

annotate test-data/TMP.1_start_xyz.txt @ 2:53dce0e49af7 draft

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planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/qcxms commit 68505a19637f8374cc5bde7e6b9370647a064ca9
author recetox
date Thu, 25 Jul 2024 14:27:08 +0000
parents ef51824f6d04
children
Ignore whitespace changes - Everywhere: Within whitespace: At end of lines:
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ef51824f6d04 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/qcxms commit 4018b84dd3c735d16f488094f001a19e634fe1a2
recetox
parents:
diff changeset
1 6
ef51824f6d04 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/qcxms commit 4018b84dd3c735d16f488094f001a19e634fe1a2
recetox
parents:
diff changeset
2 6325
ef51824f6d04 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/qcxms commit 4018b84dd3c735d16f488094f001a19e634fe1a2
recetox
parents:
diff changeset
3 C -0.59857822001968 -0.02215985716365 0.13568410610374
ef51824f6d04 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/qcxms commit 4018b84dd3c735d16f488094f001a19e634fe1a2
recetox
parents:
diff changeset
4 C 0.61205863904343 -0.05505705225983 -0.22393772541246
ef51824f6d04 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/qcxms commit 4018b84dd3c735d16f488094f001a19e634fe1a2
recetox
parents:
diff changeset
5 H -1.05122375889205 0.99067995917981 0.32453382107060
ef51824f6d04 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/qcxms commit 4018b84dd3c735d16f488094f001a19e634fe1a2
recetox
parents:
diff changeset
6 H -1.32624440512690 -0.87343794346470 0.13238115658175
ef51824f6d04 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/qcxms commit 4018b84dd3c735d16f488094f001a19e634fe1a2
recetox
parents:
diff changeset
7 H 1.30113828028591 0.80217555351015 -0.27588079204055
ef51824f6d04 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/qcxms commit 4018b84dd3c735d16f488094f001a19e634fe1a2
recetox
parents:
diff changeset
8 H 1.17175212384004 -1.04560876534258 -0.26477384393492