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Deleted ROCK/scripts/exaf/graphe/README.md,... 

Deleted ROCK/scripts/exaf/graphe/README.md, ROCK/scripts/exaf/graphe/abs_en_fct_e.png, ROCK/scripts/exaf/graphe/absorption_fct_energie.py, ROCK/scripts/exaf/graphe/mccode.dat, ROCK/scripts/exaf/simu/mccode.dat, ROCK/scripts/exaf/simu/mccode.sim, ROCK/scripts/exaf/simu/rock_SI.instr
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ROCK/scripts/exaf/graphe/README.md deleted 100644 → 0
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**EXAFS** crée à partir du fichier Rock_Si.instr (une version superficiellement modifiée et incluse dans simu).
100 points de step.
Script python qui fait le graphe du coefficient d'absorption log(Io/I) en fonction de l'énergie.
(petite rectification à faire , mu=log(Io/I)/x où x est l'épaisseur de l'échantillon. Il faudra normalisé ensuite.)
![absorption en fct energie](abs_en_fct_e.png)
Recréation de:
![absorption en fct energie](https://www.synchrotron-soleil.fr/sites/default/files/lignes_de_lumieres/rock/courbesabsorptionquick.jpg)
qui se trouve sur la page rock du site soleil.
A faire prochainement:
Faire ceci directement à partir de Mcxtrace.
Pourquoi ne voit on pas, dans la partie EXAFS du graphe (après le seuil), les oscillations dues aux interférences (constructives et destructrices) du photon-électron émit avec les autres émits des atomes voisins?
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ROCK/scripts/exaf/graphe/abs_en_fct_e.png

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#!/usr/bin/env python3
# -*- coding: utf-8 -*-
import numpy as np
import matplotlib.pyplot as plt
import math
a=np.loadtxt("mccode.dat")
sizea=len(a)
Xdeux = np.zeros(sizea)
Ydeux = np.zeros(sizea)
i=0
for elt in a:
E = elt[0]
Xdeux[i]=E
Ydeux[i]=math.log(elt[1]/elt[3])
print(math.log(elt[1]/elt[3]))
i+=1
plt.title("Cr and Mn")
plt.xlabel("E")
plt.ylabel("ln(Io/I)")
#plt.yscale("log")
plt.plot(Xdeux,Ydeux, "r")
plt.show()
ROCK/scripts/exaf/graphe/mccode.dat deleted 100644 → 0
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6851.515151515151515151515152 2.18723E+15 2.42138E+13 1436.81 15.8884 1436.81 15.8884 704.247 11.3915 704.247 11.3915 732.566 11.0759 732.566 11.0759
6866.666666666666666666666667 2.185E+15 2.41013E+13 1718.25 18.9322 1718.25 18.9322 844.274 13.5783 844.274 13.5783 873.978 13.1932 873.978 13.1932
6881.818181818181818181818182 2.17724E+15 2.39835E+13 2048.97 22.5444 2048.97 22.5444 1012.57 16.2281 1012.57 16.2281 1036.4 15.6493 1036.4 15.6493
6896.969696969696969696969697 2.15182E+15 2.37405E+13 2424.38 26.72 2424.38 26.72 1197.22 19.1639 1197.22 19.1639 1227.16 18.62 1227.16 18.62
6912.121212121212121212121212 2.14921E+15 2.35918E+13 2898.1 31.7787 2898.1 31.7787 1457.07 23.0332 1457.07 23.0332 1441.02 21.8942 1441.02 21.8942
6927.272727272727272727272727 2.082E+15 2.31057E+13 3241.77 35.9447 3241.77 35.9447 1629.97 26.1341 1629.97 26.1341 1611.8 24.6786 1611.8 24.6786
6942.424242424242424242424242 2.11971E+15 2.32085E+13 3785.31 41.408 3785.31 41.408 1878.95 29.8901 1878.95 29.8901 1906.37 28.6566 1906.37 28.6566
6957.575757575757575757575758 2.07137E+15 2.28338E+13 4242.3 46.7243 4242.3 46.7243 2118.88 33.7842 2118.88 33.7842 2123.41 32.2768 2123.41 32.2768
6972.727272727272727272727273 2.05857E+15 2.2619E+13 4837.38 53.1072 4837.38 53.1072 2376.55 38.0991 2376.55 38.0991 2460.82 36.9978 2460.82 36.9978
6987.878787878787878787878788 1.99214E+15 2.21639E+13 5367.5 59.6657 5367.5 59.6657 2663.13 43.0065 2663.13 43.0065 2704.36 41.3575 2704.36 41.3575
7003.030303030303030303030303 2.0327E+15 2.22711E+13 6282.34 68.7714 6282.34 68.7714 3091.68 49.3653 3091.68 49.3653 3190.67 47.8809 3190.67 47.8809
7018.181818181818181818181818 2.01046E+15 2.20689E+13 7126.35 78.1581 7126.35 78.1581 3547.54 56.4379 3547.54 56.4379 3578.81 54.0689 3578.81 54.0689
7033.333333333333333333333333 1.9854E+15 2.18339E+13 8070.08 88.6681 8070.08 88.6681 4098.07 64.7774 4098.07 64.7774 3972.01 60.5469 3972.01 60.5469
7048.484848484848484848484848 1.98448E+15 2.17557E+13 9250.31 101.321 9250.31 101.321 4751.85 74.3526 4751.85 74.3526 4498.46 68.8305 4498.46 68.8305
7063.636363636363636363636364 1.91477E+15 2.12027E+13 10237.6 113.26 10237.6 113.26 5177.77 82.5502 5177.77 82.5502 5059.86 77.5457 5059.86 77.5457
7078.787878787878787878787879 1.87753E+15 2.09516E+13 11511.8 128.337 11511.8 128.337 5883.28 94.0672 5883.28 94.0672 5628.48 87.303 5628.48 87.303
7093.939393939393939393939394 1.89111E+15 2.09167E+13 13304.1 147.026 13304.1 147.026 6676.52 106.492 6676.52 106.492 6627.61 101.37 6627.61 101.37
7109.090909090909090909090909 1.85616E+15 2.06274E+13 14978.8 166.306 14978.8 166.306 7390.09 119.762 7390.09 119.762 7588.69 115.39 7588.69 115.39
7124.242424242424242424242424 1.86003E+15 2.06001E+13 17213.1 190.47 17213.1 190.47 8756.31 138.925 8756.31 138.925 8456.79 130.301 8456.79 130.301
7139.393939393939393939393939 1.84734E+15 2.03918E+13 19610.9 216.285 19610.9 216.285 9623.92 154.909 9623.92 154.909 9986.97 150.94 9986.97 150.94
7154.545454545454545454545455 1.79654E+15 1.99585E+13 21873.1 242.782 21873.1 242.782 10750.8 174.201 10750.8 174.201 11122.3 169.107 11122.3 169.107
7169.696969696969696969696970 1.8231E+15 2.00392E+13 25465.1 279.68 25465.1 279.68 12287.5 198.496 12287.5 198.496 13177.6 197.029 13177.6 197.029
7184.848484848484848484848485 1.82051E+15 1.99915E+13 29156.3 319.886 29156.3 319.886 14529 231.22 14529 231.22 14627.3 221.053 14627.3 221.053
7200 1.765E+15 1.95675E+13 32419.8 359.084 32419.8 359.084 16186.4 259.693 16186.4 259.693 16233.5 247.995 16233.5 247.995
ROCK/scripts/exaf/simu/mccode.dat deleted 100644 → 0
+ 0
− 114
View file @ 34a98ee9
# Instrument-source: 'rock_SI.instr'
# Date: Wed Jan 12 04 00 2022
# Ncount: 10000000
# Numpoints: 100
# Param: Eataper = 5700
# type: multiarray_1d(100)
# title: Scan of Eataper
# xlabel: 'Eataper'
# ylabel: 'Intensity'
# xvars: Eataper
# yvars: (EnergyMonitor_I,EnergyMonitor_ERR) (EnergyMonitor_two_I,EnergyMonitor_two_ERR) (psd_monitor_full_I,psd_monitor_full_ERR) (psd_monitor_I,psd_monitor_ERR) (EnergyMonitor_above_I,EnergyMonitor_above_ERR) (psd_monitor_2_I,psd_monitor_2_ERR) (EnergyMonitor_under_I,EnergyMonitor_under_ERR)
# xlimits: 5700 7200
# filename: mccode.dat
# variables: Eataper EnergyMonitor_I EnergyMonitor_ERR EnergyMonitor_two_I EnergyMonitor_two_ERR psd_monitor_full_I psd_monitor_full_ERR psd_monitor_I psd_monitor_ERR EnergyMonitor_above_I EnergyMonitor_above_ERR psd_monitor_2_I psd_monitor_2_ERR EnergyMonitor_under_I EnergyMonitor_under_ERR
5700 3.2497E+15 4.30963E+13 1.59548E+13 2.11565E+11 1.59548E+13 2.11565E+11 4.63897E+12 1.18024E+11 4.63897E+12 1.18024E+11 1.13159E+13 1.75584E+11 1.13159E+13 1.75584E+11
5715.151515151515151515151515 3.17364E+15 4.21354E+13 1.61454E+13 2.14333E+11 1.61454E+13 2.14333E+11 4.655E+12 1.18948E+11 4.655E+12 1.18948E+11 1.14904E+13 1.78298E+11 1.14904E+13 1.78298E+11
5730.303030303030303030303030 3.26833E+15 4.27478E+13 1.7228E+13 2.25307E+11 1.7228E+13 2.25307E+11 5.2888E+12 1.28913E+11 5.2888E+12 1.28913E+11 1.19393E+13 1.84783E+11 1.19393E+13 1.84783E+11
5745.454545454545454545454545 3.29601E+15 4.268E+13 1.80019E+13 2.33081E+11 1.80019E+13 2.33081E+11 5.42832E+12 1.31846E+11 5.42832E+12 1.31846E+11 1.25736E+13 1.92208E+11 1.25736E+13 1.92208E+11
5760.606060606060606060606061 3.2474E+15 4.20063E+13 1.83776E+13 2.37692E+11 1.83776E+13 2.37692E+11 5.84383E+12 1.38566E+11 5.84383E+12 1.38566E+11 1.25338E+13 1.93125E+11 1.25338E+13 1.93125E+11
5775.757575757575757575757576 3.201E+15 4.15677E+13 1.87706E+13 2.43724E+11 1.87706E+13 2.43724E+11 5.84761E+12 1.40212E+11 5.84761E+12 1.40212E+11 1.2923E+13 1.99355E+11 1.2923E+13 1.99355E+11
5790.909090909090909090909091 3.25492E+15 4.17615E+13 1.97758E+13 2.53698E+11 1.97758E+13 2.53698E+11 6.60406E+12 1.51428E+11 6.60406E+12 1.51428E+11 1.31718E+13 2.03549E+11 1.31718E+13 2.03549E+11
5806.060606060606060606060606 3.24027E+15 4.14085E+13 2.03996E+13 2.60657E+11 2.03996E+13 2.60657E+11 6.73555E+12 1.54874E+11 6.73555E+12 1.54874E+11 1.3664E+13 2.09658E+11 1.3664E+13 2.09658E+11
5821.212121212121212121212121 3.24564E+15 4.12339E+13 2.11715E+13 2.68939E+11 2.11715E+13 2.68939E+11 7.24535E+12 1.62167E+11 7.24535E+12 1.62167E+11 1.39261E+13 2.14546E+11 1.39261E+13 2.14546E+11
5836.363636363636363636363636 3.11526E+15 4.00751E+13 2.10564E+13 2.70839E+11 2.10564E+13 2.70839E+11 7.11675E+12 1.61978E+11 7.11675E+12 1.61978E+11 1.39396E+13 2.17065E+11 1.39396E+13 2.17065E+11
5851.515151515151515151515152 3.21726E+15 4.0604E+13 2.25309E+13 2.84318E+11 2.25309E+13 2.84318E+11 7.93592E+12 1.73874E+11 7.93592E+12 1.73874E+11 1.4595E+13 2.24955E+11 1.4595E+13 2.24955E+11
5866.666666666666666666666667 3.13503E+15 3.98962E+13 2.27503E+13 2.89482E+11 2.27503E+13 2.89482E+11 7.94142E+12 1.76294E+11 7.94142E+12 1.76294E+11 1.48088E+13 2.2961E+11 1.48088E+13 2.2961E+11
5881.818181818181818181818182 3.15483E+15 3.97821E+13 2.36866E+13 2.98649E+11 2.36866E+13 2.98649E+11 8.59584E+12 1.85386E+11 8.59584E+12 1.85386E+11 1.50907E+13 2.34143E+11 1.50907E+13 2.34143E+11
5896.969696969696969696969697 3.21274E+15 4.00214E+13 2.49524E+13 3.10793E+11 2.49524E+13 3.10793E+11 9.51856E+12 1.98411E+11 9.51856E+12 1.98411E+11 1.54339E+13 2.39219E+11 1.54339E+13 2.39219E+11
5912.121212121212121212121212 3.19076E+15 3.95944E+13 2.56366E+13 3.18088E+11 2.56366E+13 3.18088E+11 9.6779E+12 2.0126E+11 9.6779E+12 2.0126E+11 1.59587E+13 2.46322E+11 1.59587E+13 2.46322E+11
5927.272727272727272727272727 3.18878E+15 3.94383E+13 2.65039E+13 3.27753E+11 2.65039E+13 3.27753E+11 1.00569E+13 2.07943E+11 1.00569E+13 2.07943E+11 1.6447E+13 2.53342E+11 1.6447E+13 2.53342E+11
5942.424242424242424242424242 3.10472E+15 3.86999E+13 2.66953E+13 3.3271E+11 2.66953E+13 3.3271E+11 1.00941E+13 2.10976E+11 1.00941E+13 2.10976E+11 1.66012E+13 2.57265E+11 1.66012E+13 2.57265E+11
5957.575757575757575757575758 3.18763E+15 3.90619E+13 2.83523E+13 3.47388E+11 2.83523E+13 3.47388E+11 1.10765E+13 2.24242E+11 1.10765E+13 2.24242E+11 1.72758E+13 2.65319E+11 1.72758E+13 2.65319E+11
5972.727272727272727272727273 3.12791E+15 3.84541E+13 2.87655E+13 3.5359E+11 2.87655E+13 3.5359E+11 1.14926E+13 2.30679E+11 1.14926E+13 2.30679E+11 1.7273E+13 2.67979E+11 1.7273E+13 2.67979E+11
5987.878787878787878787878788 3.10616E+15 3.80909E+13 2.15089E+12 2.87847E+10 2.15089E+12 2.87847E+10 1.16884E+12 2.40481E+10 1.16884E+12 2.40481E+10 9.82052E+11 1.58192E+10 9.82052E+11 1.58192E+10
6003.030303030303030303030303 3.09261E+15 3.79236E+13 1.84521E+9 2.48035E+7 1.84521E+9 2.48035E+7 1.03291E+9 2.10599E+7 1.03291E+9 2.10599E+7 8.123E+8 1.31032E+7 8.123E+8 1.31032E+7
6018.181818181818181818181818 3.13318E+15 3.79178E+13 2.04692E+6 23066.8 2.04692E+6 23066.8 1.00561E+6 18146.7 1.00561E+6 18146.7 1.04131E+6 14240 1.04131E+6 14240
6033.333333333333333333333333 3.11664E+15 3.768E+13 1.83446E+6 21666.3 1.83446E+6 21666.3 749223 14222.8 749223 14222.8 1.08524E+6 16344.4 1.08524E+6 16344.4
6048.484848484848484848484848 3.10884E+15 3.73556E+13 2.08672E+6 25051.2 2.08672E+6 25051.2 853033 16458.4 853033 16458.4 1.23369E+6 18886.1 1.23369E+6 18886.1
6063.636363636363636363636364 3.12766E+15 3.7297E+13 2.43142E+6 28975.4 2.43142E+6 28975.4 1.03596E+6 19467.6 1.03596E+6 19467.6 1.39546E+6 21461.2 1.39546E+6 21461.2
6078.787878787878787878787879 3.08264E+15 3.68662E+13 2.77448E+6 33159.6 2.77448E+6 33159.6 1.18647E+6 22286.9 1.18647E+6 22286.9 1.58801E+6 24553.1 1.58801E+6 24553.1
6093.939393939393939393939394 3.07287E+15 3.6707E+13 3.20203E+6 38225.4 3.20203E+6 38225.4 1.35422E+6 25536.6 1.35422E+6 25536.6 1.84781E+6 28444 1.84781E+6 28444
6109.090909090909090909090909 3.08682E+15 3.65183E+13 3.71739E+6 43952.6 3.71739E+6 43952.6 1.61655E+6 29765 1.61655E+6 29765 2.10084E+6 32340 2.10084E+6 32340
6124.242424242424242424242424 3.11714E+15 3.65593E+13 4.26114E+6 49947.5 4.26114E+6 49947.5 1.84844E+6 33831.7 1.84844E+6 33831.7 2.4127E+6 36744.7 2.4127E+6 36744.7
6139.393939393939393939393939 3.08619E+15 3.611E+13 4.78846E+6 55993.4 4.78846E+6 55993.4 2.10194E+6 38244.3 2.10194E+6 38244.3 2.68652E+6 40897.9 2.68652E+6 40897.9
6154.545454545454545454545454 3.03368E+15 3.56613E+13 5.34169E+6 62756 5.34169E+6 62756 2.39613E+6 43172.2 2.39613E+6 43172.2 2.94556E+6 45546.5 2.94556E+6 45546.5
6169.696969696969696969696970 3.048E+15 3.56576E+13 6.09099E+6 71213.8 6.09099E+6 71213.8 2.76094E+6 49294.6 2.76094E+6 49294.6 3.33005E+6 51395 3.33005E+6 51395
6184.848484848484848484848485 3.01713E+15 3.52174E+13 6.84344E+6 79831.1 6.84344E+6 79831.1 3.11114E+6 55341.6 3.11114E+6 55341.6 3.73229E+6 57535.4 3.73229E+6 57535.4
6200 3.04637E+15 3.52544E+13 7.84218E+6 90698.7 7.84218E+6 90698.7 3.63061E+6 63374.9 3.63061E+6 63374.9 4.21157E+6 64883.7 4.21157E+6 64883.7
6215.151515151515151515151515 3.05399E+15 3.50662E+13 8.92327E+6 102392 8.92327E+6 102392 4.12265E+6 71501.4 4.12265E+6 71501.4 4.80062E+6 73291.9 4.80062E+6 73291.9
6230.303030303030303030303030 2.98454E+15 3.45346E+13 9.89711E+6 114447 9.89711E+6 114447 4.69244E+6 81044.9 4.69244E+6 81044.9 5.20467E+6 80808.1 5.20467E+6 80808.1
6245.454545454545454545454546 2.97906E+15 3.42941E+13 1.1212E+7 128992 1.1212E+7 128992 5.3135E+6 91098.8 5.3135E+6 91098.8 5.89848E+6 91322.7 5.89848E+6 91322.7
6260.606060606060606060606061 2.93719E+15 3.39122E+13 1.255E+7 144805 1.255E+7 144805 5.78974E+6 100935 5.78974E+6 100935 6.76025E+6 103831 6.76025E+6 103831
6275.757575757575757575757576 3.00789E+15 3.41248E+13 1.45859E+7 165374 1.45859E+7 165374 6.85211E+6 116421 6.85211E+6 116421 7.73379E+6 117452 7.73379E+6 117452
6290.909090909090909090909091 3.00639E+15 3.39974E+13 1.65487E+7 187014 1.65487E+7 187014 7.77267E+6 131771 7.77267E+6 131771 8.77604E+6 132705 8.77604E+6 132705
6306.060606060606060606060606 2.92678E+15 3.33912E+13 1.8285E+7 208475 1.8285E+7 208475 8.54406E+6 146386 8.54406E+6 146386 9.74094E+6 148436 9.74094E+6 148436
6321.212121212121212121212121 2.97818E+15 3.35524E+13 2.11174E+7 237753 2.11174E+7 237753 9.94395E+6 167482 9.94395E+6 167482 1.11735E+7 168748 1.11735E+7 168748
6336.363636363636363636363636 2.87245E+15 3.26875E+13 2.31146E+7 262861 2.31146E+7 262861 1.1269E+7 188215 1.1269E+7 188215 1.18456E+7 183497 1.18456E+7 183497
6351.515151515151515151515152 2.98685E+15 3.32421E+13 2.7281E+7 303425 2.7281E+7 303425 1.32221E+7 216497 1.32221E+7 216497 1.40588E+7 212593 1.40588E+7 212593
6366.666666666666666666666667 2.93814E+15 3.27894E+13 3.04596E+7 339697 3.04596E+7 339697 1.47044E+7 242185 1.47044E+7 242185 1.57552E+7 238203 1.57552E+7 238203
6381.818181818181818181818182 2.84889E+15 3.20702E+13 3.35274E+7 377172 3.35274E+7 377172 1.60712E+7 267586 1.60712E+7 267586 1.74562E+7 265813 1.74562E+7 265813
6396.969696969696969696969697 2.84307E+15 3.19877E+13 3.79619E+7 426813 3.79619E+7 426813 1.88896E+7 308948 1.88896E+7 308948 1.90723E+7 294483 1.90723E+7 294483
6412.121212121212121212121212 2.84451E+15 3.17617E+13 4.30928E+7 480843 4.30928E+7 480843 2.12169E+7 345711 2.12169E+7 345711 2.18758E+7 334206 2.18758E+7 334206
6427.272727272727272727272727 2.85177E+15 3.171E+13 4.8942E+7 543802 4.8942E+7 543802 2.45163E+7 395195 2.45163E+7 395195 2.44258E+7 373553 2.44258E+7 373553
6442.424242424242424242424242 2.84124E+15 3.14571E+13 5.5261E+7 611396 5.5261E+7 611396 2.75051E+7 442282 2.75051E+7 442282 2.77559E+7 422129 2.77559E+7 422129
6457.575757575757575757575758 2.87019E+15 3.14814E+13 6.32433E+7 693190 6.32433E+7 693190 3.18373E+7 504176 3.18373E+7 504176 3.1406E+7 475731 3.1406E+7 475731
6472.727272727272727272727273 2.80541E+15 3.10157E+13 6.94402E+7 767270 6.94402E+7 767270 3.43343E+7 553774 3.43343E+7 553774 3.51059E+7 531073 3.51059E+7 531073
6487.878787878787878787878788 2.74587E+15 3.04909E+13 7.48284E+7 830463 7.48284E+7 830463 3.70188E+7 598895 3.70188E+7 598895 3.78096E+7 575320 3.78096E+7 575320
6503.030303030303030303030303 2.72614E+15 3.02023E+13 8.17711E+7 905400 8.17711E+7 905400 4.11786E+7 659996 4.11786E+7 659996 4.05925E+7 619802 4.05925E+7 619802
6518.181818181818181818181818 2.71037E+15 3.00581E+13 8.9476E+7 991710 8.9476E+7 991710 4.51711E+7 724458 4.51711E+7 724458 4.4305E+7 677238 4.4305E+7 677238
6533.333333333333333333333333 2.6595E+15 2.9572E+13 5.57423E+7 688900 5.57423E+7 688900 3.82464E+7 629049 3.82464E+7 629049 1.74959E+7 280856 1.74959E+7 280856
6548.484848484848484848484848 2.63858E+15 2.92706E+13 218766 2703.38 218766 2703.38 147917 2461.33 147917 2461.33 70849.4 1118.07 70849.4 1118.07
6563.636363636363636363636364 2.61172E+15 2.90093E+13 867.345 10.7299 867.345 10.7299 594.897 9.81272 594.897 9.81272 272.448 4.34065 272.448 4.34065
6578.787878787878787878787879 2.60124E+15 2.88622E+13 62.812 0.692823 62.812 0.692823 31.4025 0.500946 31.4025 0.500946 31.4094 0.478599 31.4094 0.478599
6593.939393939393939393939394 2.57698E+15 2.85629E+13 75.0634 0.830458 75.0634 0.830458 37.2244 0.598575 37.2244 0.598575 37.8391 0.575646 37.8391 0.575646
6609.090909090909090909090909 2.54223E+15 2.81783E+13 89.6681 0.992832 89.6681 0.992832 43.8184 0.709984 43.8184 0.709984 45.8497 0.694002 45.8497 0.694002
6624.242424242424242424242424 2.52168E+15 2.79391E+13 107.709 1.19206 107.709 1.19206 53.8639 0.862822 53.8639 0.862822 53.8454 0.822528 53.8454 0.822528
6639.393939393939393939393939 2.55636E+15 2.80301E+13 132.305 1.44912 132.305 1.44912 64.6423 1.03613 64.6423 1.03613 67.6632 1.01311 67.6632 1.01311
6654.545454545454545454545454 2.44539E+15 2.72706E+13 153.268 1.70732 153.268 1.70732 75.8317 1.22793 75.8317 1.22793 77.4363 1.18623 77.4363 1.18623
6669.696969696969696969696970 2.46378E+15 2.72143E+13 186.915 2.06252 186.915 2.06252 92.6833 1.48698 92.6833 1.48698 94.2316 1.4293 94.2316 1.4293
6684.848484848484848484848485 2.37909E+15 2.66032E+13 216.114 2.41421 216.114 2.41421 106.178 1.73039 106.178 1.73039 109.936 1.68349 109.936 1.68349
6700 2.39263E+15 2.65386E+13 260.091 2.88181 260.091 2.88181 129.562 2.08042 129.562 2.08042 130.529 1.99417 130.529 1.99417
6715.151515151515151515151515 2.40315E+15 2.64786E+13 312.785 3.44264 312.785 3.44264 154.34 2.47916 154.34 2.47916 158.446 2.38863 158.446 2.38863
6730.303030303030303030303030 2.39775E+15 2.63368E+13 373.562 4.09891 373.562 4.09891 185.735 2.95712 185.735 2.95712 187.827 2.83839 187.827 2.83839
6745.454545454545454545454545 2.3326E+15 2.58824E+13 435.009 4.82185 435.009 4.82185 217.371 3.48617 217.371 3.48617 217.637 3.33119 217.637 3.33119
6760.606060606060606060606061 2.33464E+15 2.57728E+13 521.166 5.74696 521.166 5.74696 259.402 4.15105 259.402 4.15105 261.764 3.97446 261.764 3.97446
6775.757575757575757575757576 2.27961E+15 2.53136E+13 609.166 6.75692 609.166 6.75692 304.376 4.88884 304.376 4.88884 304.79 4.66425 304.79 4.66425
6790.909090909090909090909091 2.23851E+15 2.49617E+13 716.087 7.97656 716.087 7.97656 355.913 5.75363 355.913 5.75363 360.174 5.5246 360.174 5.5246
6806.060606060606060606060606 2.25449E+15 2.49157E+13 863.339 9.53058 863.339 9.53058 431.463 6.90251 431.463 6.90251 431.876 6.57171 431.876 6.57171
6821.212121212121212121212121 2.26309E+15 2.49162E+13 1037.37 11.4091 1037.37 11.4091 512.74 8.20146 512.74 8.20146 524.626 7.93125 524.626 7.93125
6836.363636363636363636363636 2.23797E+15 2.46739E+13 1227.66 13.5197 1227.66 13.5197 619.843 9.84541 619.843 9.84541 607.817 9.2655 607.817 9.2655
6851.515151515151515151515152 2.18723E+15 2.42138E+13 1436.81 15.8884 1436.81 15.8884 704.247 11.3915 704.247 11.3915 732.566 11.0759 732.566 11.0759
6866.666666666666666666666667 2.185E+15 2.41013E+13 1718.25 18.9322 1718.25 18.9322 844.274 13.5783 844.274 13.5783 873.978 13.1932 873.978 13.1932
6881.818181818181818181818182 2.17724E+15 2.39835E+13 2048.97 22.5444 2048.97 22.5444 1012.57 16.2281 1012.57 16.2281 1036.4 15.6493 1036.4 15.6493
6896.969696969696969696969697 2.15182E+15 2.37405E+13 2424.38 26.72 2424.38 26.72 1197.22 19.1639 1197.22 19.1639 1227.16 18.62 1227.16 18.62
6912.121212121212121212121212 2.14921E+15 2.35918E+13 2898.1 31.7787 2898.1 31.7787 1457.07 23.0332 1457.07 23.0332 1441.02 21.8942 1441.02 21.8942
6927.272727272727272727272727 2.082E+15 2.31057E+13 3241.77 35.9447 3241.77 35.9447 1629.97 26.1341 1629.97 26.1341 1611.8 24.6786 1611.8 24.6786
6942.424242424242424242424242 2.11971E+15 2.32085E+13 3785.31 41.408 3785.31 41.408 1878.95 29.8901 1878.95 29.8901 1906.37 28.6566 1906.37 28.6566
6957.575757575757575757575758 2.07137E+15 2.28338E+13 4242.3 46.7243 4242.3 46.7243 2118.88 33.7842 2118.88 33.7842 2123.41 32.2768 2123.41 32.2768
6972.727272727272727272727273 2.05857E+15 2.2619E+13 4837.38 53.1072 4837.38 53.1072 2376.55 38.0991 2376.55 38.0991 2460.82 36.9978 2460.82 36.9978
6987.878787878787878787878788 1.99214E+15 2.21639E+13 5367.5 59.6657 5367.5 59.6657 2663.13 43.0065 2663.13 43.0065 2704.36 41.3575 2704.36 41.3575
7003.030303030303030303030303 2.0327E+15 2.22711E+13 6282.34 68.7714 6282.34 68.7714 3091.68 49.3653 3091.68 49.3653 3190.67 47.8809 3190.67 47.8809
7018.181818181818181818181818 2.01046E+15 2.20689E+13 7126.35 78.1581 7126.35 78.1581 3547.54 56.4379 3547.54 56.4379 3578.81 54.0689 3578.81 54.0689
7033.333333333333333333333333 1.9854E+15 2.18339E+13 8070.08 88.6681 8070.08 88.6681 4098.07 64.7774 4098.07 64.7774 3972.01 60.5469 3972.01 60.5469
7048.484848484848484848484848 1.98448E+15 2.17557E+13 9250.31 101.321 9250.31 101.321 4751.85 74.3526 4751.85 74.3526 4498.46 68.8305 4498.46 68.8305
7063.636363636363636363636364 1.91477E+15 2.12027E+13 10237.6 113.26 10237.6 113.26 5177.77 82.5502 5177.77 82.5502 5059.86 77.5457 5059.86 77.5457
7078.787878787878787878787879 1.87753E+15 2.09516E+13 11511.8 128.337 11511.8 128.337 5883.28 94.0672 5883.28 94.0672 5628.48 87.303 5628.48 87.303
7093.939393939393939393939394 1.89111E+15 2.09167E+13 13304.1 147.026 13304.1 147.026 6676.52 106.492 6676.52 106.492 6627.61 101.37 6627.61 101.37
7109.090909090909090909090909 1.85616E+15 2.06274E+13 14978.8 166.306 14978.8 166.306 7390.09 119.762 7390.09 119.762 7588.69 115.39 7588.69 115.39
7124.242424242424242424242424 1.86003E+15 2.06001E+13 17213.1 190.47 17213.1 190.47 8756.31 138.925 8756.31 138.925 8456.79 130.301 8456.79 130.301
7139.393939393939393939393939 1.84734E+15 2.03918E+13 19610.9 216.285 19610.9 216.285 9623.92 154.909 9623.92 154.909 9986.97 150.94 9986.97 150.94
7154.545454545454545454545455 1.79654E+15 1.99585E+13 21873.1 242.782 21873.1 242.782 10750.8 174.201 10750.8 174.201 11122.3 169.107 11122.3 169.107
7169.696969696969696969696970 1.8231E+15 2.00392E+13 25465.1 279.68 25465.1 279.68 12287.5 198.496 12287.5 198.496 13177.6 197.029 13177.6 197.029
7184.848484848484848484848485 1.82051E+15 1.99915E+13 29156.3 319.886 29156.3 319.886 14529 231.22 14529 231.22 14627.3 221.053 14627.3 221.053
7200 1.765E+15 1.95675E+13 32419.8 359.084 32419.8 359.084 16186.4 259.693 16186.4 259.693 16233.5 247.995 16233.5 247.995
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begin instrument:
Creator: mcxtrace 1.6
Source: rock_SI.instr
Parameters: Eataper
Trace_enabled: no
Default_main: yes
Embedded_runtime: yes
end instrument
begin simulation
Date: Wed Jan 12 04 00 2022
Ncount: 10000000
Numpoints: 2
Param: Eataper = 5700, Eataper = 7200
end simulation
begin data
type: multiarray_1d(2)
title: Scan of Eataper
xvars: Eataper
yvars: (EnergyMonitor_I,EnergyMonitor_ERR) (EnergyMonitor_two_I,EnergyMonitor_two_ERR) (psd_monitor_full_I,psd_monitor_full_ERR) (psd_monitor_I,psd_monitor_ERR) (EnergyMonitor_above_I,EnergyMonitor_above_ERR) (psd_monitor_2_I,psd_monitor_2_ERR) (EnergyMonitor_under_I,EnergyMonitor_under_ERR)
xlabel: 'Eataper'
ylabel: 'Intensity'
xlimits: 5700 7200
filename: mccode.dat
variables: Eataper EnergyMonitor_I EnergyMonitor_ERR EnergyMonitor_two_I EnergyMonitor_two_ERR psd_monitor_full_I psd_monitor_full_ERR psd_monitor_I psd_monitor_ERR EnergyMonitor_above_I EnergyMonitor_above_ERR psd_monitor_2_I psd_monitor_2_ERR EnergyMonitor_under_I EnergyMonitor_under_ERR
end data
ROCK/scripts/exaf/simu/rock_SI.instr deleted 100644 → 0
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− 460
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/*******************************************************************************
* Instrument: ROCK beam-line at SOLEIL
*
* %I
* Written by: Stephane Bac, Antoine Padovani, Emmanuel Farhi
* Date: 29/11/2021
* Origin: SOLEIL
* Version: 0.1
* %INSTRUMENT_SITE: SOLEIL
*
* ROCK beam-line at SOLEIL
*
* %D
* ROCK : Rocking Optics for Chemical Kinetics ROCK time-resolved X-ray
*
* absorption spectroscopy (XAS) beamline Energy range 4 - 40 keV The ROCK
* beamline (ROCK being the acronym for Rocking Optics for Chemical Kinetics) is
* devoted to the study of fast kinetic processes in nanomaterials used in
* catalysis and batteries. The objective is to contribute to the development of
* more efficient catalysts and batteries which should find successful industrial
* applications in the field of energy generation and storage in compliance with
* the protection of public health and environment. The better knowledge at the
* atomic scale of nanomaterials involved in catalysis or energy storage provided
* by time-resolved XAS is recognized by the concerned communities as mandatory
* for establishing synthesis strategies leading to important breakthroughs in
* the production of energy from renewable sources and in the development of
* advanced energy storage devices.
*
* %P
* Eataper: [eV] Energy to hit
* angle_m2a_m2b: [rad] M2A/M2B mirror's deviation angle, can vary from 0.0035 to 0.0104
* sample_file: [string] sample file name
* sample_density: [g/cm^3] sample density
* reflec_material_M1: [string] material reflectivity file name for M1 mirror
* reflec_material_M2A: [string] material reflectivity file name for M2A mirror
* reflec_material_M2B: [string] material reflectivity file name for M2B mirror
* cc: 0 for Si 220 with an energy range of 5628.83-46283.4 eV/4-35 deg (tapable:11752-34055 ev/5.44-15.94 deg), 1 for Si 111 long 3446.94-28342.7 eV/4-35 deg (tapable:7196-20854 ev/5.44-15.94 deg), 2 for Si 111 short 3446.94-18914.3 eV/6-35 deg (tapable:5323-18914 ev/6-21.8 deg)
*
* %L
* https://www.synchrotron-soleil.fr/en/beamlines/rock
*
* %E
*******************************************************************************/
DEFINE INSTRUMENT rock (
Eataper=15918, angle_m2a_m2b=0.008, string sample_file="Cu.txt", sample_density=8.96, string reflec_material_M1="Ir.dat",string reflec_material_M2A="B4C.dat", string reflec_material_M2B="B4C.txt", cc=0
)
DECLARE
%{
double dE;
double AngleMonochromator;
double angle_calcule;
double Eataperkev;
double Eminkev;
double Emaxkev;
double incr;
int n;
int i_h;
int i_k;
int i_l;
double length_first_crystal;
double length_second_crystal;
double center_first_crystal;
double dist_center_to_center;
double ppp;
%}
INITIALIZE
%{
i_h=1;
i_k=1;
i_l=1;
if(cc<=0){ //cc 220
Eminkev=5.62883;
Emaxkev=46.2834;
incr=0.995/(Emaxkev-Eminkev);
n=8;
i_h=2;
i_k=2;
i_l=0;
length_first_crystal=70e-3;
length_second_crystal=70e-3;
center_first_crystal=20;
dist_center_to_center = sqrt(0.01*0.01+0.07*0.07);
/// ppp is arctan(e/l)
ppp=0.14189;
}
else if (cc<=1){ //cc long 111
Eminkev=3.44694;
Emaxkev=28.3427;
incr=0.995/(Emaxkev-Eminkev);
n=3;
length_first_crystal=70e-3;
length_second_crystal=70e-3;
center_first_crystal=18.92;
dist_center_to_center = sqrt(0.01*0.01+0.07*0.07);
ppp=0.14189;
} else if (cc<=2){ //cc short 111
Eminkev=3.44694;
Emaxkev=18.9143;
incr=0.995/(Emaxkev-Eminkev);
n=3;
length_first_crystal=50e-3;
length_second_crystal=70e-3;
center_first_crystal=19.25;
dist_center_to_center = sqrt(0.01*0.01+0.06*0.06);
ppp=0.1651;
}
angle_calcule=RAD2DEG*asin(12398.42*sqrt(n)/(2*5.4309*Eataper));
Eataperkev=Eataper*(1/1e3);
dE = 0.01 * Eataperkev;
fprintf(stdout,"Energie %g / Angle %g", Eataperkev, angle_calcule);
if(Eataperkev<=7.98){
reflec_material_M2A="B4C.dat";
reflec_material_M2B="B4C.txt";
}
else if (Eataperkev<=16.46){
reflec_material_M2A="Pd.dat";
reflec_material_M2B="Pd.txt";
}
else if (Eataperkev<=21.19){
reflec_material_M2A="Pt.dat";
reflec_material_M2B="Pt.txt";
}
%}
TRACE
COMPONENT Origin = Progress_bar(
)
AT (0, 0, 0) ABSOLUTE
/* -------------------------------------------------- Source */
COMPONENT Source = Bending_magnet(
E0=Eataperkev,
B=1.72,
dE = dE
)
AT (0, 0, 0) RELATIVE Origin
/* -------------------------------------------------- Fente verticale 1 */
COMPONENT slit_un = Slit(
xwidth=0.021,
yheight=0.042)
AT (0, 0, 8.5336) RELATIVE PREVIOUS
/* -------------------------------------------------- Fente horizontale 2 */
COMPONENT slit_deux = Slit(
xwidth=0.02,
yheight=0.01)
AT (0, 0, 8.6486-8.5336) RELATIVE PREVIOUS
/* -------------------------------------------------- Toroidal mirror */
COMPONENT mirror_toroid = Mirror_toroid(
xwidth = 0.015,
zdepth = 1.1,
radius=0.0317,
radius_o=9.02e3,reflec=reflec_material_M1)
AT (0, 0, 10.15-8.6486) RELATIVE PREVIOUS
ROTATED (-0.0045*RAD2DEG/2, 0, 0) RELATIVE PREVIOUS
EXTEND
%{
if (!SCATTERED) ABSORB;
%}
COMPONENT armmmm = Arm()
AT (0, 0, 0) RELATIVE PREVIOUS
ROTATED (-0.0045*RAD2DEG, 0, 0) RELATIVE Source
/* -------------------------------------------------- Fente horizontale 3 */
COMPONENT slit_trois = Slit(
xwidth=0.02,
yheight=0.01)
AT (0, 0, 11.6905-10.15) RELATIVE PREVIOUS
/* -------------------------------------------------- M2a mirror */
COMPONENT mirror_plan = Mirror(
xwidth=47e-3,
zdepth=1100e-3,reflectivity=reflec_material_M2A)
AT (0, 0, (16.82-11.6905)) RELATIVE PREVIOUS
ROTATED (-angle_m2a_m2b*RAD2DEG/2, 0, 0) RELATIVE PREVIOUS
EXTEND
%{
if (!SCATTERED) ABSORB;
%}
COMPONENT arm_deux = Arm()
AT (0, 0, 0) RELATIVE PREVIOUS
ROTATED (-angle_m2a_m2b*RAD2DEG/2, 0, 0) RELATIVE PREVIOUS
/* -------------------------------------------------- Fente horizontale 4 */
COMPONENT slit_quatre = Slit(
xwidth=0.02,
yheight=0.01)
AT (0, 0, 18.1512-16.82) RELATIVE PREVIOUS
/* -------------------------------------------------- CC crystal 1 */
COMPONENT bragg_crystal = Bragg_crystal(
length=length_first_crystal,
width=25e-3,
material = "Si.txt",
h = i_h,
k = i_k,
l = i_l,
crystal_type = 2
)
AT (0, 0, center_first_crystal-18.1512) RELATIVE PREVIOUS
ROTATED (-angle_calcule, 0, 0) RELATIVE PREVIOUS
EXTEND
%{
if (!SCATTERED) ABSORB;
%}
COMPONENT arm = Arm()
AT (0, 0, 0) RELATIVE PREVIOUS
ROTATED (-angle_calcule, 0, 0) RELATIVE PREVIOUS
/* -------------------------------------------------- CC crystal 2 */
COMPONENT bragg_crystal_two = Bragg_crystal(
length=length_second_crystal,
width=25e-3,
material = "Si.txt",
h = i_h,
k = i_k,
l = i_l,
crystal_type = 2)
AT (0, 0.01, (length_first_crystal/2)+(length_second_crystal/2)) RELATIVE bragg_crystal
ROTATED (angle_calcule, 0, 0) RELATIVE PREVIOUS
EXTEND
%{
if (!SCATTERED) ABSORB;
%}
COMPONENT arm_two = Arm()
AT (0, 0, 0) RELATIVE PREVIOUS
ROTATED (angle_calcule, 0, 0) RELATIVE PREVIOUS
/* -------------------------------------------------- Fente horizontale 5 */
COMPONENT slit_cinq = Slit(
xwidth=0.02,
yheight=0.01)
AT (0, (0.01*2*cos(DEG2RAD*angle_calcule)-dist_center_to_center*sin(ppp+DEG2RAD*angle_calcule)), (21.135-(center_first_crystal+cos(0.0045+angle_m2a_m2b+DEG2RAD*angle_calcule*2)*dist_center_to_center))/cos(0.0045+angle_m2a_m2b)) RELATIVE PREVIOUS
/* -------------------------------------------------- Fente verticale 6 */
COMPONENT slit_six = Slit(
xwidth=0.01,
yheight=0.02)
AT (0, 0, 21.25-21.135) RELATIVE PREVIOUS
/* -------------------------------------------------- M2b mirror */
COMPONENT mirror_curved = Mirror_curved(
radius=5e3,
width=47e-3,
length=1100e-3,
coating=reflec_material_M2B)
AT (0, 0, 22.44-21.25) RELATIVE PREVIOUS
ROTATED (angle_m2a_m2b*RAD2DEG/2, 0, 90) RELATIVE PREVIOUS
EXTEND
%{
if (!SCATTERED) ABSORB;
%}
COMPONENT arm_quatre = Arm()
AT (0, 0, 0) RELATIVE PREVIOUS
ROTATED (angle_m2a_m2b*RAD2DEG, 0, 0) RELATIVE arm_two
/* -------------------------------------------------- E monitor */
COMPONENT EnergyMonitor = E_monitor(
xmin = -2.0 ,
xmax = 2.0 ,
ymin = -2.0 ,
ymax = 2.0 ,
Emin = Eataperkev-(0.005+(Eataperkev-Eminkev)*incr),
Emax = Eataperkev+(0.005+(Eataperkev-Eminkev)*incr),
nE = 500,
filename = "EnergyMonitor",
restore_xray = 1
)
AT (0, 0, 10) RELATIVE PREVIOUS
/* -------------------------------------------------- sample */
COMPONENT absorption_sample = Absorption_sample(
/*material_datafile_o=sample_file,
xwidth_o = 0.5,
yheight_o = 0.5,
zdepth_o = 0.0001,
rho_o=sample_density,
material_datafile_i="Cr.txt",
xwidth_i = 0.5,
yheight_i = 0.5,
zdepth_i = 0.00005,
rho_i=7.19*/
/* works, take cc1 tapeable limits
material_datafile_o="Mo.txt",
xwidth_o = 0.5,
yheight_o = 0.5,
zdepth_o = 0.0001,
rho_o=10.28,
rho_i=8.96,
material_datafile_i="Cu.txt",
xwidth_i = 0.5,
yheight_i = 0.5,
zdepth_i = 0.00005 */
material_datafile_o="Mn.txt",
xwidth_o = 0.5,
yheight_o = 0.5,
zdepth_o = 0.0001,
rho_o=7.21,
rho_i=7.19,
material_datafile_i="Cr.txt",
xwidth_i = 0.5,
yheight_i = 0.5,
zdepth_i = 0.00005
/*errything here works,7500,9000 , sur le cc 1 then python lollll trop fucking cool material_datafile_o="Co.txt",
xwidth_o = 0.5,
yheight_o = 0.5,
zdepth_o = 0.0001,
rho_o=8.9,
rho_i=8.908,
material_datafile_i="Ni.txt",
xwidth_i = 0.5,
yheight_i = 0.5,
zdepth_i = 0.00005 */
)
AT (0, 0, 0.5) RELATIVE PREVIOUS
/* -------------------------------------------------- E monitor */
COMPONENT EnergyMonitor_two = E_monitor(
xmin = -2.0 ,
xmax = 2.0 ,
ymin = -2.0 ,
ymax = 2.0 ,
Emin = Eataperkev-(0.005+(Eataperkev-Eminkev)*incr),
Emax = Eataperkev+(0.005+(Eataperkev-Eminkev)*incr),
//Emin = Eataperkev-20,
//Emax = Eataperkev+20,
nE = 500,
filename = "EnergyMonitor_two",
restore_xray = 1
)
AT (0, 0, 0.5) RELATIVE PREVIOUS
COMPONENT psd_monitor_full = PSD_monitor(
filename="psd_full",
xmin=-0.01,
xmax=0.01,
ymin=-0.01,
ymax=0.01,
nx=100,
ny=100,
restore_xray = 1
)
AT (0, 0, 0) RELATIVE PREVIOUS
COMPONENT psd_monitor = PSD_monitor(
filename="psd",
//xwidth=0.02,
//yheight=0.02,
xmin=-0.01,
xmax=0.01,
ymin=0,
ymax=0.01,
nx=100,
ny=100,
restore_xray = 1
)
AT (0, 0, 0.1) RELATIVE PREVIOUS
COMPONENT EnergyMonitor_above = E_monitor(
xmin = -2.0 ,
xmax = 2.0 ,
ymin = 0 ,
ymax = 2.0 ,
Emin = Eataperkev-(0.005+(Eataperkev-Eminkev)*incr),
Emax = Eataperkev+(0.005+(Eataperkev-Eminkev)*incr),
nE = 500,
filename = "EnergyMonitorabove"
)
AT (0, 0, 0) RELATIVE PREVIOUS
COMPONENT psd_monitor_2 = PSD_monitor(
filename="psd_two",
xmin=-0.01,
xmax=0.01,
ymin=-0.01,
ymax=0,
nx=100,
ny=100,
restore_xray = 1
)
AT (0, 0, 0) RELATIVE PREVIOUS
COMPONENT EnergyMonitor_under = E_monitor(
xmin = -2.0 ,
xmax = 2.0 ,
ymin = -2.0 ,
ymax = 0 ,
Emin = Eataperkev-(0.005+(Eataperkev-Eminkev)*incr),
Emax = Eataperkev+(0.005+(Eataperkev-Eminkev)*incr),
nE = 500,
filename = "EnergyMonitorunder"
)
AT (0, 0, 0) RELATIVE PREVIOUS
FINALLY
%{
%}
END
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