Mercurial > repos > muon-spectroscopy-computational-project > larch_feff

diff test-data/[CSV_summary_of_1627088.cif].csv @ 1:8ee2cc3374fe draft

Find changesets by keywords (author, files, the commit message), revision number or hash, or revset expression.
planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_feff commit 0f66842e802430e887d1c6cb7be1cc5436408fd2
author muon-spectroscopy-computational-project
date Mon, 04 Mar 2024 11:43:32 +0000
parents
children
line wrap: on
line diff
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/[CSV_summary_of_1627088.cif].csv	Mon Mar 04 11:43:32 2024 +0000
@@ -0,0 +1,6 @@
+    file     ,   sig2 ,  amp ratio,    deg  ,  nlegs,  r effective, label                         , select
+ feff0001.dat, 0.00000,   100.000 ,   12.000,     2 ,  2.7931     , Pd.Pd.1                       ,      0
+ feff0002.dat, 0.00000,    18.733 ,    6.000,     2 ,  3.9500     , Pd.Pd.2                       ,      0
+ feff0003.dat, 0.00000,     8.554 ,   48.000,     3 ,  4.1896     , Pd.Pd.Pd.3                    ,      0
+ feff0004.dat, 0.00000,     5.107 ,   48.000,     3 ,  4.7681     , Pd.Pd.Pd.4                    ,      0
+ feff0005.dat, 0.00000,    39.601 ,   24.000,     2 ,  4.8377     , Pd.Pd.5                       ,      0