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

view test-data/[CSV_summary_of_1564889.cif].csv @ 1:8ee2cc3374fe draft

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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 edf7f8ccf4af
children
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    file     ,   sig2 ,  amp ratio,    deg  ,  nlegs,  r effective, label                         , select
 feff0001.dat, 0.00000,   100.000 ,    2.000,     2 ,  2.2366     , S.Fe.1                        ,      0
 feff0002.dat, 0.00000,   100.000 ,    4.000,     2 ,  2.2549     , S.Fe.2                        ,      0
 feff0003.dat, 0.00000,    17.561 ,    2.000,     2 ,  3.3852     , Fe.Fe.3                       ,      0
 feff0004.dat, 0.00000,    16.957 ,    2.000,     2 ,  3.4915     , S.Fe.4                        ,      0
 feff0005.dat, 0.00000,    31.274 ,    4.000,     2 ,  3.6045     , S.Fe.5                        ,      0
 feff0006.dat, 0.00000,     7.145 ,    8.000,     3 ,  3.8064     , S.S.Fe.6                      ,      0
 feff0007.dat, 0.00000,     7.214 ,    8.000,     3 ,  3.8606     , S.S.Fe.7                      ,      0
 feff0008.dat, 0.00000,    50.180 ,    8.000,     2 ,  3.8958     , Fe.Fe.8                       ,      0
 feff0009.dat, 0.00000,     7.793 ,    8.000,     3 ,  3.9475     , Fe.S.Fe.9                     ,      0
 feff0010.dat, 0.00000,     8.508 ,    4.000,     3 ,  3.9725     , S.S.Fe.10                     ,      0