Mercurial > repos > muon-spectroscopy-computational-project > larch_feff
view test-data/[CSV_summary_of_test.inp].csv @ 0:edf7f8ccf4af draft
planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_feff commit 5be486890442dedfb327289d597e1c8110240735
| author | muon-spectroscopy-computational-project |
|---|---|
| date | Tue, 14 Nov 2023 15:35:09 +0000 |
| parents | |
| children |
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file , sig2 , amp ratio, deg , nlegs, r effective, label , select feff0001.dat, 0.00000, 100.000 , 1.000, 2 , 1.9149 , C.Rh.1 , 0 feff0002.dat, 0.00000, 91.295 , 1.000, 2 , 1.9854 , C.Rh.2 , 0 feff0003.dat, 0.00000, 83.637 , 1.000, 2 , 2.0550 , C.Rh.3 , 0 feff0004.dat, 0.00000, 79.929 , 1.000, 2 , 2.0917 , C.Rh.4 , 0 feff0005.dat, 0.00000, 89.367 , 1.000, 2 , 2.7050 , Rh.Rh.5 , 0 feff0006.dat, 0.00000, 86.941 , 1.000, 2 , 2.7337 , Rh.Rh.6 , 0 feff0007.dat, 0.00000, 81.971 , 1.000, 2 , 2.7957 , Rh.Rh.7 , 0 feff0008.dat, 0.00000, 37.159 , 1.000, 2 , 3.0163 , O.Rh.8 , 0 feff0009.dat, 0.00000, 100.000 , 2.000, 3 , 3.0167 , O.C.Rh.9 , 0 feff0010.dat, 0.00000, 76.145 , 1.000, 4 , 3.0170 , C.O.C.Rh.10 , 0 feff0011.dat, 0.00000, 32.597 , 1.000, 2 , 3.0220 , O.Rh.11 , 0 feff0012.dat, 0.00000, 29.179 , 1.000, 2 , 3.1366 , O.Rh.12 , 0 feff0013.dat, 0.00000, 25.921 , 2.000, 3 , 3.1653 , O.C.Rh.13 , 0 feff0014.dat, 0.00000, 27.950 , 1.000, 2 , 3.1819 , O.Rh.14 , 0 feff0015.dat, 0.00000, 58.926 , 2.000, 3 , 3.2132 , O.C.Rh.15 , 0 feff0016.dat, 0.00000, 32.939 , 1.000, 4 , 3.2445 , C.O.C.Rh.16 , 0 feff0017.dat, 0.00000, 21.901 , 2.000, 3 , 3.2875 , O.C.Rh.17 , 0 feff0018.dat, 0.00000, 7.728 , 1.000, 4 , 3.3087 , C.O.C.Rh.18 , 0 feff0019.dat, 0.00000, 5.677 , 2.000, 3 , 3.3214 , Rh.C.Rh.19 , 0 feff0020.dat, 0.00000, 5.763 , 2.000, 3 , 3.3260 , Rh.C.Rh.20 , 0 feff0021.dat, 0.00000, 6.231 , 1.000, 4 , 3.4384 , C.O.C.Rh.21 , 0 feff0023.dat, 0.00000, 16.232 , 1.000, 2 , 3.5372 , C.Rh.23 , 0 feff0024.dat, 0.00000, 3.728 , 2.000, 3 , 3.5425 , C.C.Rh.24 , 0 feff0025.dat, 0.00000, 15.819 , 1.000, 2 , 3.5671 , C.Rh.25 , 0 feff0026.dat, 0.00000, 3.312 , 2.000, 3 , 3.5939 , C.C.Rh.26 , 0 feff0027.dat, 0.00000, 4.223 , 2.000, 3 , 3.6181 , C.C.Rh.27 , 0 feff0029.dat, 0.00000, 14.227 , 1.000, 2 , 3.6920 , C.Rh.29 , 0 feff0030.dat, 0.00000, 11.517 , 2.000, 3 , 3.8220 , C.C.Rh.30 , 0 feff0031.dat, 0.00000, 4.455 , 1.000, 4 , 3.8297 , C.Rh.C.Rh.31 , 0 feff0032.dat, 0.00000, 12.091 , 1.000, 2 , 3.8888 , C.Rh.32 , 0 feff0033.dat, 0.00000, 15.264 , 2.000, 4 , 3.9003 , C.Rh.C.Rh.33 , 0 feff0034.dat, 0.00000, 14.184 , 1.000, 2 , 3.9535 , O.Rh.34 , 0 feff0035.dat, 0.00000, 3.684 , 1.000, 4 , 3.9708 , C.Rh.C.Rh.35 , 0 feff0036.dat, 0.00000, 10.240 , 1.000, 4 , 3.9783 , O.C.O.Rh.36 , 0 feff0037.dat, 0.00000, 32.052 , 2.000, 5 , 3.9787 , O.C.O.C.Rh.37 , 0 feff0038.dat, 0.00000, 25.210 , 1.000, 6 , 3.9790 , C.O.C.O.C.Rh.38 , 0 feff0039.dat, 0.00000, 11.124 , 1.000, 2 , 3.9920 , C.Rh.39 , 0 feff0040.dat, 0.00000, 13.715 , 1.000, 2 , 3.9945 , O.Rh.40 , 0 feff0041.dat, 0.00000, 8.332 , 2.000, 3 , 4.0838 , C.Rh.Rh.41 , 0 feff0042.dat, 0.00000, 3.048 , 2.000, 3 , 4.0890 , Rh.Rh.Rh.42 , 0 feff0043.dat, 0.00000, 3.260 , 2.000, 3 , 4.1013 , Rh.Rh.Rh.43 , 0 feff0044.dat, 0.00000, 3.073 , 1.000, 4 , 4.1100 , C.Rh.C.Rh.44 , 0 feff0045.dat, 0.00000, 7.914 , 2.000, 3 , 4.1209 , C.Rh.Rh.45 , 0 feff0046.dat, 0.00000, 3.206 , 2.000, 3 , 4.1223 , Rh.Rh.Rh.46 , 0 feff0047.dat, 0.00000, 2.799 , 1.000, 4 , 4.1834 , C.Rh.C.Rh.47 , 0 feff0048.dat, 0.00000, 7.874 , 2.000, 3 , 4.1912 , C.Rh.Rh.48 , 0 feff0050.dat, 0.00000, 8.949 , 1.000, 2 , 4.2696 , C.Rh.50 , 0 feff0051.dat, 0.00000, 10.748 , 1.000, 2 , 4.3002 , O.Rh.51 , 0 feff0052.dat, 0.00000, 10.714 , 1.000, 2 , 4.3043 , O.Rh.52 , 0 feff0053.dat, 0.00000, 10.621 , 1.000, 2 , 4.3155 , O.Rh.53 , 0 feff0054.dat, 0.00000, 7.182 , 2.000, 3 , 4.3251 , C.Rh.Rh.54 , 0 feff0055.dat, 0.00000, 5.235 , 1.000, 4 , 4.3347 , O.C.O.Rh.55 , 0 feff0057.dat, 0.00000, 3.558 , 1.000, 4 , 4.3452 , O.C.O.Rh.57 , 0 feff0058.dat, 0.00000, 8.350 , 1.000, 2 , 4.3603 , C.Rh.58 , 0 feff0059.dat, 0.00000, 12.514 , 2.000, 5 , 4.3660 , O.C.O.C.Rh.59 , 0 feff0060.dat, 0.00000, 16.294 , 2.000, 3 , 4.3787 , C.Rh.Rh.60 , 0 feff0062.dat, 0.00000, 7.648 , 1.000, 6 , 4.3972 , C.O.C.O.C.Rh.62 , 0 feff0063.dat, 0.00000, 6.643 , 2.000, 3 , 4.4001 , C.Rh.Rh.63 , 0 feff0064.dat, 0.00000, 13.337 , 2.000, 3 , 4.4055 , O.C.Rh.64 , 0 feff0066.dat, 0.00000, 5.926 , 2.000, 3 , 4.4541 , C.Rh.Rh.66 , 0 feff0068.dat, 0.00000, 9.336 , 1.000, 2 , 4.4832 , O.Rh.68 , 0 feff0069.dat, 0.00000, 7.222 , 1.000, 4 , 4.4878 , Rh.C.Rh.Rh.69 , 0 feff0070.dat, 0.00000, 4.653 , 2.000, 5 , 4.4886 , O.C.O.C.Rh.70 , 0 feff0071.dat, 0.00000, 12.751 , 2.000, 3 , 4.4927 , C.Rh.Rh.71 , 0 feff0072.dat, 0.00000, 5.932 , 1.000, 4 , 4.4955 , C.O.C.Rh.72 , 0 feff0078.dat, 0.00000, 3.284 , 2.000, 3 , 4.5615 , O.C.Rh.78 , 0 feff0079.dat, 0.00000, 2.902 , 2.000, 3 , 4.5732 , C.C.Rh.79 , 0 feff0080.dat, 0.00000, 3.436 , 2.000, 3 , 4.6064 , Rh.C.Rh.80 , 0 feff0081.dat, 0.00000, 4.653 , 1.000, 4 , 4.6251 , Rh.C.Rh.Rh.81 , 0 feff0082.dat, 0.00000, 6.854 , 2.000, 3 , 4.6311 , O.C.Rh.82 , 0 feff0083.dat, 0.00000, 6.727 , 1.000, 2 , 4.6507 , C.Rh.83 , 0 feff0084.dat, 0.00000, 8.204 , 1.000, 2 , 4.6551 , O.Rh.84 , 0 feff0085.dat, 0.00000, 2.780 , 2.000, 3 , 4.6567 , C.C.Rh.85 , 0 feff0087.dat, 0.00000, 3.264 , 2.000, 3 , 4.6645 , Rh.C.Rh.87 , 0 feff0088.dat, 0.00000, 6.619 , 1.000, 2 , 4.6730 , C.Rh.88 , 0 feff0089.dat, 0.00000, 3.068 , 2.000, 4 , 4.6823 , Rh.C.C.Rh.89 , 0 feff0091.dat, 0.00000, 18.587 , 2.000, 3 , 4.7211 , C.Rh.Rh.91 , 0 feff0092.dat, 0.00000, 13.756 , 1.000, 4 , 4.7692 , Rh.C.Rh.Rh.92 , 0 feff0094.dat, 0.00000, 6.951 , 2.000, 3 , 4.7831 , C.O.Rh.94 , 0 feff0095.dat, 0.00000, 6.102 , 2.000, 3 , 4.7842 , C.Rh.Rh.95 , 0 feff0098.dat, 0.00000, 10.393 , 2.000, 4 , 4.7967 , C.Rh.Rh.Rh.98 , 0 feff0099.dat, 0.00000, 2.759 , 2.000, 5 , 4.8110 , O.C.O.C.Rh.99 , 0 feff0102.dat, 0.00000, 7.049 , 1.000, 2 , 4.8622 , O.Rh.102 , 0 feff0104.dat, 0.00000, 6.792 , 1.000, 2 , 4.9136 , O.Rh.104 , 0 feff0105.dat, 0.00000, 5.690 , 2.000, 3 , 4.9161 , C.O.Rh.105 , 0 feff0107.dat, 0.00000, 11.074 , 2.000, 3 , 4.9167 , O.C.Rh.107 , 0 feff0108.dat, 0.00000, 10.137 , 2.000, 4 , 4.9368 , C.Rh.O.Rh.108 , 0 feff0109.dat, 0.00000, 5.170 , 1.000, 6 , 4.9403 , O.C.O.C.O.Rh.109 , 0 feff0110.dat, 0.00000, 16.546 , 2.000, 7 , 4.9407 , O.C.O.C.O.C.Rh.110 , 0 feff0111.dat, 0.00000, 13.280 , 1.000, 8 , 4.9410 , C.O.C.O.C.O.C.Rh.111 , 0 feff0112.dat, 0.00000, 3.562 , 2.000, 3 , 4.9549 , O.Rh.Rh.112 , 0 feff0113.dat, 0.00000, 5.689 , 2.000, 4 , 4.9593 , O.C.Rh.Rh.113 , 0 feff0114.dat, 0.00000, 5.096 , 1.000, 4 , 4.9712 , C.O.C.Rh.114 , 0 feff0115.dat, 0.00000, 6.492 , 1.000, 2 , 4.9766 , O.Rh.115 , 0