1
# Athena project file -- Athena version 0.8.023
2
# This file created at 14:09:39 on 22 October, 2003
3
# using linux, perl 5.008, and Ifeffit 1.2.3
5
$old_group = 'cuft_txt';
6
@args = ('bft_dr','0.2','bft_rmax','3','bft_rmin','1','bft_win','kaiser-bessel','bkg_cl',0,'bkg_clamp1','None','bkg_clamp2','Strong','bkg_dk',0,'bkg_e0','8980.63','bkg_eshift',0,'bkg_fixstep',0,'bkg_flatten','1','bkg_int','-0.138258599807493','bkg_kw','1','bkg_nc0','20.3207330229823','bkg_nc1','-0.00386287625862106','bkg_nc2','1.91413010336952e-07','bkg_nclamp',5,'bkg_nor1',150,'bkg_nor2','1099.97','bkg_pre1',-150,'bkg_pre2',-75,'bkg_rbkg','1.0','bkg_slope','1.5582902534691e-05','bkg_spl1','0.5','bkg_spl1e','0.952','bkg_spl2','17.747','bkg_spl2e','1199.977','bkg_stan','None','bkg_step','1.0658','bkg_win','kaiser-bessel','bkg_z','Cu','deg_tol',0,'denominator','','detectors',[],'en_str','cuft_txt.1','fft_dk','1','fft_edge','K','fft_kmax',15,'fft_kmin',2,'fft_kw','1','fft_pc','no','fft_win','kaiser-bessel','is_bkg',0,'is_chi',0,'is_diff',0,'is_merge',0,'is_nor',0,'is_pixel',0,'is_proj',1,'is_qsp',0,'is_raw',0,'is_rec',1,'is_rsp',0,'is_xmu',1,'label','cufoil_rt_txt','line',-1,'mu_str','(cuft_txt.2)','not_data',0,'numerator','(cuft_txt.2)','original_label','cufoil_rt_txt','peak',0,'plot_scale',1,'plot_yoffset',0,'titles',[]);
7
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8
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10
[record] # create object and set arrays in ifeffit
12
$old_group = 'cu_calib';
13
@args = ('bft_dr','0.2','bft_rmax','3','bft_rmin','1','bft_win','kaiser-bessel','bkg_cl',0,'bkg_clamp1','None','bkg_clamp2','Strong','bkg_dk',0,'bkg_e0','8980.75','bkg_eshift',0,'bkg_fixstep',0,'bkg_flatten','1','bkg_int','-2.34600264861013','bkg_kw','1','bkg_nc0','5.50325645407242','bkg_nc1','-0.000490632282830869','bkg_nc2','0','bkg_nclamp',5,'bkg_nor1',150,'bkg_nor2','234.82','bkg_pre1','-28.1800000000003','bkg_pre2','-14.0900000000001','bkg_rbkg','1.0','bkg_slope','0.000261928752411475','bkg_spl1','0.5','bkg_spl1e','0.952','bkg_spl2','9.374','bkg_spl2e','334.790','bkg_stan','None','bkg_step','1.0907','bkg_win','kaiser-bessel','bkg_z','Cu','deg_tol',0,'denominator','','detectors',[],'en_str','cu_calib.1','fft_dk','1','fft_edge','K','fft_kmax','9.374','fft_kmin',2,'fft_kw','1','fft_pc','no','fft_win','kaiser-bessel','is_bkg',0,'is_chi',0,'is_diff',0,'is_merge',0,'is_nor',0,'is_pixel',0,'is_proj',1,'is_qsp',0,'is_raw',0,'is_rec',1,'is_rsp',0,'is_xmu',1,'label','cu_08_calib','line',0,'mu_str','(cu_calib.2)','not_data',0,'numerator','(cu_calib.2)','original_label','cu_08_calib','peak',0,'plot_scale',1,'plot_yoffset',0,'titles',[]);
14
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17
[record] # create object and set arrays in ifeffit
19
$old_group = 'cu_pixel';
20
@args = ('bft_dr','0.2','bft_rmax','3','bft_rmin','1','bft_win','kaiser-bessel','bkg_cl',0,'bkg_clamp1','None','bkg_clamp2','Strong','bkg_dk',0,'bkg_e0',100,'bkg_eshift',0,'bkg_fixstep',0,'bkg_flatten','1','bkg_int','-0.892175350396157','bkg_kw','1','bkg_nc0','0.925276054200861','bkg_nc1','-3.36959559026502e-07','bkg_nc2','-1.40251829994689e-07','bkg_nclamp',5,'bkg_nor1',150,'bkg_nor2',1040,'bkg_pre1',-98,'bkg_pre2','-49','bkg_rbkg','1.0','bkg_slope','0.00017327284513802','bkg_spl1','0.5','bkg_spl1e','0.952','bkg_spl2','16.522','bkg_spl2e','1040.036','bkg_stan','None','bkg_step','1.7987','bkg_win','kaiser-bessel','bkg_z','H','deg_tol',0,'denominator','','detectors',[],'en_str','cu_08.1','fft_dk','1','fft_edge','K','fft_kmax',15,'fft_kmin',2,'fft_kw','1','fft_pc','no','fft_win','kaiser-bessel','is_bkg',0,'is_chi',0,'is_diff',0,'is_merge',0,'is_nor',0,'is_pixel',1,'is_proj',1,'is_qsp',0,'is_raw',0,'is_rec',1,'is_rsp',0,'is_xmu',1,'label','cu_08_pixel','line',1,'mu_str','(cu_08.2)','not_data',0,'numerator','(cu_08.2)','original_label','cu_08_pixel','peak',0,'plot_scale',1,'plot_yoffset',0,'titles',[]);
21
@x = 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24
[record] # create object and set arrays in ifeffit
26
$old_group = 'cuspixel';
27
@args = ('bft_dr','0.2','bft_rmax','3','bft_rmin','1','bft_win','kaiser-bessel','bkg_cl',0,'bkg_clamp1','None','bkg_clamp2','Strong','bkg_dk',0,'bkg_e0',109,'bkg_eshift',0,'bkg_fixstep',0,'bkg_flatten','1','bkg_int',0,'bkg_kw','1','bkg_nc0','1.87870791320135','bkg_nc1','-0.00305143968716235','bkg_nc2','1.57226078932442e-06','bkg_nclamp','5','bkg_nor1',150,'bkg_nor2',1031,'bkg_pre1',-107,'bkg_pre2','-53.5','bkg_rbkg','1.0','bkg_slope','3.66116161616041e-05','bkg_spl1','0.5','bkg_spl1e','0.952','bkg_spl2','16.378','bkg_spl2e','1021.986','bkg_stan','None','bkg_step','2.4079','bkg_win','kaiser-bessel','bkg_z','H','deg_tol',0,'denominator','','detectors',[],'en_str','cus2_01.1','fft_dk','1','fft_edge','K','fft_kmax',15,'fft_kmin',2,'fft_kw','1','fft_pc','no','fft_win','kaiser-bessel','is_bkg',0,'is_chi',0,'is_diff',0,'is_merge',0,'is_nor',0,'is_pixel',1,'is_proj',1,'is_qsp',0,'is_raw',0,'is_rec',1,'is_rsp',0,'is_xmu',1,'label','cus2_01_pixel','line',2,'mu_str','(cus2_01.2)','not_data',0,'numerator','(cus2_01.2)','original_label','cus2_01_pixel','peak',0,'plot_scale',1,'plot_yoffset',0,'titles',[]);
28
@x = 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31
[record] # create object and set arrays in ifeffit
33
$old_group = 'cuspix?1';
34
@args = ('bft_dr','0.2','bft_rmax','3','bft_rmin','1','bft_win','kaiser-bessel','bkg_cl',0,'bkg_clamp1','None','bkg_clamp2','Strong','bkg_dk',0,'bkg_e0',111,'bkg_eshift',0,'bkg_fixstep',0,'bkg_flatten','1','bkg_int',0,'bkg_kw','1','bkg_nc0','2.56310427575935','bkg_nc1','-0.000566457079682846','bkg_nc2','-1.90873927270244e-09','bkg_nclamp','5','bkg_nor1',150,'bkg_nor2',1029,'bkg_pre1',-109,'bkg_pre2','-54.5','bkg_rbkg','1.0','bkg_slope','0.000392703588516789','bkg_spl1','0.5','bkg_spl1e','0.952','bkg_spl2','16.346','bkg_spl2e','1017.996','bkg_stan','None','bkg_step','3.0227','bkg_win','kaiser-bessel','bkg_z','H','deg_tol',0,'denominator','','detectors',[],'en_str','cus2_02.1','fft_dk','1','fft_edge','K','fft_kmax',15,'fft_kmin',2,'fft_kw','1','fft_pc','no','fft_win','kaiser-bessel','is_bkg',0,'is_chi',0,'is_diff',0,'is_merge',0,'is_nor',0,'is_pixel',1,'is_proj',1,'is_qsp',0,'is_raw',0,'is_rec',1,'is_rsp',0,'is_xmu',1,'label','cus2_02_pixel','line',3,'mu_str','(cus2_02.2)','not_data',0,'numerator','(cus2_01.2)','original_label','cus2_02_pixel','peak',0,'plot_scale',1,'plot_yoffset',0,'titles',[]);
35
@x = 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38
[record] # create object and set arrays in ifeffit
40
$old_group = 'cuspix?2';
41
@args = ('bft_dr','0.2','bft_rmax','3','bft_rmin','1','bft_win','kaiser-bessel','bkg_cl',0,'bkg_clamp1','None','bkg_clamp2','Strong','bkg_dk',0,'bkg_e0',108,'bkg_eshift',0,'bkg_fixstep',0,'bkg_flatten','1','bkg_int',0,'bkg_kw','1','bkg_nc0','1.75725564988973','bkg_nc1','0.00123117268083507','bkg_nc2','-1.04725469437763e-06','bkg_nclamp','5','bkg_nor1',150,'bkg_nor2',1032,'bkg_pre1',-106,'bkg_pre2','-53','bkg_rbkg','1.0','bkg_slope','0.000140695368782153','bkg_spl1','0.5','bkg_spl1e','0.952','bkg_spl2','16.394','bkg_spl2e','1023.984','bkg_stan','None','bkg_step','2.5065','bkg_win','kaiser-bessel','bkg_z','H','deg_tol',0,'denominator','','detectors',[],'en_str','cus2_03.1','fft_dk','1','fft_edge','K','fft_kmax',15,'fft_kmin',2,'fft_kw','1','fft_pc','no','fft_win','kaiser-bessel','is_bkg',0,'is_chi',0,'is_diff',0,'is_merge',0,'is_nor',0,'is_pixel',1,'is_proj',1,'is_qsp',0,'is_raw',0,'is_rec',1,'is_rsp',0,'is_xmu',1,'label','cus2_03_pixel','line',4,'mu_str','(cus2_03.2)','not_data',0,'numerator','(cus2_01.2)','original_label','cus2_03_pixel','peak',0,'plot_scale',1,'plot_yoffset',0,'titles',[]);
42
@x = 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45
[record] # create object and set arrays in ifeffit
47
$old_group = 'cuspix?3';
48
@args = ('bft_dr','0.2','bft_rmax','3','bft_rmin','1','bft_win','kaiser-bessel','bkg_cl',0,'bkg_clamp1','None','bkg_clamp2','Strong','bkg_dk',0,'bkg_e0',109,'bkg_eshift',0,'bkg_fixstep',0,'bkg_flatten','1','bkg_int',0,'bkg_kw','1','bkg_nc0','2.34546751213389','bkg_nc1','-0.000225887819167306','bkg_nc2','-3.75732582116294e-07','bkg_nclamp','5','bkg_nor1',150,'bkg_nor2',1031,'bkg_pre1',-107,'bkg_pre2','-53.5','bkg_rbkg','1.0','bkg_slope','0.00019088333333332','bkg_spl1','0.5','bkg_spl1e','0.952','bkg_spl2','16.378','bkg_spl2e','1021.986','bkg_stan','None','bkg_step','2.9397','bkg_win','kaiser-bessel','bkg_z','H','deg_tol',0,'denominator','','detectors',[],'en_str','cus2_04.1','fft_dk','1','fft_edge','K','fft_kmax',15,'fft_kmin',2,'fft_kw','1','fft_pc','no','fft_win','kaiser-bessel','is_bkg',0,'is_chi',0,'is_diff',0,'is_merge',0,'is_nor',0,'is_pixel',1,'is_proj',1,'is_qsp',0,'is_raw',0,'is_rec',1,'is_rsp',0,'is_xmu',1,'label','cus2_04_pixel','line',5,'mu_str','(cus2_04.2)','not_data',0,'numerator','(cus2_01.2)','original_label','cus2_04_pixel','peak',0,'plot_scale',1,'plot_yoffset',0,'titles',[]);
49
@x = 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52
[record] # create object and set arrays in ifeffit
54
$old_group = 'cuspix?4';
55
@args = ('bft_dr','0.2','bft_rmax','3','bft_rmin','1','bft_win','kaiser-bessel','bkg_cl',0,'bkg_clamp1','None','bkg_clamp2','Strong','bkg_dk',0,'bkg_e0',109,'bkg_eshift',0,'bkg_fixstep',0,'bkg_flatten','1','bkg_int',0,'bkg_kw','1','bkg_nc0','1.99010383497561','bkg_nc1','0.000476804390281408','bkg_nc2','-5.42721927597292e-07','bkg_nclamp','5','bkg_nor1',150,'bkg_nor2',1031,'bkg_pre1',-107,'bkg_pre2','-53.5','bkg_rbkg','1.0','bkg_slope','6.09284271284045e-05','bkg_spl1','0.5','bkg_spl1e','0.952','bkg_spl2','16.378','bkg_spl2e','1021.986','bkg_stan','None','bkg_step','2.7033','bkg_win','kaiser-bessel','bkg_z','H','deg_tol',0,'denominator','','detectors',[],'en_str','cus2_05.1','fft_dk','1','fft_edge','K','fft_kmax',15,'fft_kmin',2,'fft_kw','1','fft_pc','no','fft_win','kaiser-bessel','is_bkg',0,'is_chi',0,'is_diff',0,'is_merge',0,'is_nor',0,'is_pixel',1,'is_proj',1,'is_qsp',0,'is_raw',0,'is_rec',1,'is_rsp',0,'is_xmu',1,'label','cus2_05_pixel','line',6,'mu_str','(cus2_05.2)','not_data',0,'numerator','(cus2_01.2)','original_label','cus2_05_pixel','peak',0,'plot_scale',1,'plot_yoffset',0,'titles',[]);
56
@x = 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59
[record] # create object and set arrays in ifeffit
61
$old_group = 'cuspix?5';
62
@args = ('bft_dr','0.2','bft_rmax','3','bft_rmin','1','bft_win','kaiser-bessel','bkg_cl',0,'bkg_clamp1','None','bkg_clamp2','Strong','bkg_dk',0,'bkg_e0',111,'bkg_eshift',0,'bkg_fixstep',0,'bkg_flatten','1','bkg_int',0,'bkg_kw','1','bkg_nc0','2.81080318660599','bkg_nc1','1.27153234372386e-05','bkg_nc2','-4.34015881673941e-07','bkg_nclamp','5','bkg_nor1',150,'bkg_nor2',1029,'bkg_pre1',-109,'bkg_pre2','-54.5','bkg_rbkg','1.0','bkg_slope','0.000250120027341082','bkg_spl1','0.5','bkg_spl1e','0.952','bkg_spl2','16.346','bkg_spl2e','1017.996','bkg_stan','None','bkg_step','3.3054','bkg_win','kaiser-bessel','bkg_z','H','deg_tol',0,'denominator','','detectors',[],'en_str','cus2_06.1','fft_dk','1','fft_edge','K','fft_kmax',15,'fft_kmin',2,'fft_kw','1','fft_pc','no','fft_win','kaiser-bessel','is_bkg',0,'is_chi',0,'is_diff',0,'is_merge',0,'is_nor',0,'is_pixel',1,'is_proj',1,'is_qsp',0,'is_raw',0,'is_rec',1,'is_rsp',0,'is_xmu',1,'label','cus2_06_pixel','line',7,'mu_str','(cus2_06.2)','not_data',0,'numerator','(cus2_01.2)','original_label','cus2_06_pixel','peak',0,'plot_scale',1,'plot_yoffset',0,'titles',[]);
63
@x = 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66
[record] # create object and set arrays in ifeffit
68
$old_group = 'cuspix?6';
69
@args = ('bft_dr','0.2','bft_rmax','3','bft_rmin','1','bft_win','kaiser-bessel','bkg_cl',0,'bkg_clamp1','None','bkg_clamp2','Strong','bkg_dk',0,'bkg_e0',108,'bkg_eshift',0,'bkg_fixstep',0,'bkg_flatten','1','bkg_int',0,'bkg_kw','1','bkg_nc0','2.81142420099462','bkg_nc1','0.000106535787269008','bkg_nc2','-4.83039279971177e-07','bkg_nclamp','5','bkg_nor1',150,'bkg_nor2',1032,'bkg_pre1',-106,'bkg_pre2','-53','bkg_rbkg','1.0','bkg_slope','0.000234573203735494','bkg_spl1','0.5','bkg_spl1e','0.952','bkg_spl2','16.394','bkg_spl2e','1023.984','bkg_stan','None','bkg_step','3.3105','bkg_win','kaiser-bessel','bkg_z','H','deg_tol',0,'denominator','','detectors',[],'en_str','cus2_07.1','fft_dk','1','fft_edge','K','fft_kmax',15,'fft_kmin',2,'fft_kw','1','fft_pc','no','fft_win','kaiser-bessel','is_bkg',0,'is_chi',0,'is_diff',0,'is_merge',0,'is_nor',0,'is_pixel',1,'is_proj',1,'is_qsp',0,'is_raw',0,'is_rec',1,'is_rsp',0,'is_xmu',1,'label','cus2_07_pixel','line',8,'mu_str','(cus2_07.2)','not_data',0,'numerator','(cus2_01.2)','original_label','cus2_07_pixel','peak',0,'plot_scale',1,'plot_yoffset',0,'titles',[]);
70
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73
[record] # create object and set arrays in ifeffit
75
$old_group = 'cuspix?7';
76
@args = ('bft_dr','0.2','bft_rmax','3','bft_rmin','1','bft_win','kaiser-bessel','bkg_cl',0,'bkg_clamp1','None','bkg_clamp2','Strong','bkg_dk',0,'bkg_e0',108,'bkg_eshift',0,'bkg_fixstep',0,'bkg_flatten','1','bkg_int',0,'bkg_kw','1','bkg_nc0','2.86700411941567','bkg_nc1','0.000246713683239432','bkg_nc2','-5.89359949726592e-07','bkg_nclamp','5','bkg_nor1',150,'bkg_nor2',1032,'bkg_pre1',-106,'bkg_pre2','-53','bkg_rbkg','1.0','bkg_slope','0.000171967486182602','bkg_spl1','0.5','bkg_spl1e','0.952','bkg_spl2','16.394','bkg_spl2e','1023.984','bkg_stan','None','bkg_step','3.3588','bkg_win','kaiser-bessel','bkg_z','H','deg_tol',0,'denominator','','detectors',[],'en_str','cus2_08.1','fft_dk','1','fft_edge','K','fft_kmax',15,'fft_kmin',2,'fft_kw','1','fft_pc','no','fft_win','kaiser-bessel','is_bkg',0,'is_chi',0,'is_diff',0,'is_merge',0,'is_nor',0,'is_pixel',1,'is_proj',1,'is_qsp',0,'is_raw',0,'is_rec',1,'is_rsp',0,'is_xmu',1,'label','cus2_08_pixel','line',9,'mu_str','(cus2_08.2)','not_data',0,'numerator','(cus2_01.2)','original_label','cus2_08_pixel','peak',0,'plot_scale',1,'plot_yoffset',0,'titles',[]);
77
@x = 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80
[record] # create object and set arrays in ifeffit
82
$old_group = 'cuspix?8';
83
@args = ('bft_dr','0.2','bft_rmax','3','bft_rmin','1','bft_win','kaiser-bessel','bkg_cl',0,'bkg_clamp1','None','bkg_clamp2','Strong','bkg_dk',0,'bkg_e0',108,'bkg_eshift',0,'bkg_fixstep',0,'bkg_flatten','1','bkg_int',0,'bkg_kw','1','bkg_nc0','3.13443297520767','bkg_nc1','0.000340954514611163','bkg_nc2','-6.23817746683317e-07','bkg_nclamp','5','bkg_nor1',150,'bkg_nor2',1032,'bkg_pre1',-106,'bkg_pre2','-53','bkg_rbkg','1.0','bkg_slope','0.000204255460263012','bkg_spl1','0.5','bkg_spl1e','0.952','bkg_spl2','16.394','bkg_spl2e','1023.984','bkg_stan','None','bkg_step','3.3835','bkg_win','kaiser-bessel','bkg_z','H','deg_tol',0,'denominator','','detectors',[],'en_str','cus2_10.1','fft_dk','1','fft_edge','K','fft_kmax',15,'fft_kmin',2,'fft_kw','1','fft_pc','no','fft_win','kaiser-bessel','is_bkg',0,'is_chi',0,'is_diff',0,'is_merge',0,'is_nor',0,'is_pixel',1,'is_proj',1,'is_qsp',0,'is_raw',0,'is_rec',1,'is_rsp',0,'is_xmu',1,'label','cus2_10_pixel','line',10,'mu_str','(cus2_10.2)','not_data',0,'numerator','(cus2_01.2)','original_label','cus2_10_pixel','peak',0,'plot_scale',1,'plot_yoffset',0,'titles',[]);
84
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87
[record] # create object and set arrays in ifeffit
89
@journal = ('This project file demonstrates Athena\'s dispersive XAS calibration.','Dispersive data is measured as a function of pixel position on an','areal detector. These data must be calibrated by converting pixel','position to energy. This is done by measuring a well-known standard','and then measuring the unknown data in the same experimental ','configuration. The standard is compared to the same sample as ','measured on a normal XAS beamline. Pixel position is converted to ','energy by a quadratic function, i.e.',' energy = A + B*pixel + C*pixel^2','The parameters A, B, and C are determined by comparing to the ','standard measured in dispersive mode to the standard measured ','normally. The parameters are then applied to all the data measured','under the same experimental conditions.','','The data in this project file is:',' cufoil_rt_text the data measured normally (ESRF BM-29)',' cu_08_calib dispersive data (ID-24) calibrated by',' the beamline scientist',' cu_08_pixel uncalibrated dispersive data',' cus_01_pixel thru',' cus_10_pixel several scans of copper sulfide measured',' in dispersive mode','',' ','To begin, select "Calibrate dispersive data" from the Align menu. ','This will replace the main window with the dispersive data dialog. ','The standard should be "cufoil_rt_txt", the data measured at a normal','XAS beamline. The other data set displayed should be "cu_08_pixel", ','the standard measured in dispersive mode.','','Initially the calibration will be quite poor. The first thing to do ','is to adjust the linear term. Try a new value, click the "Reset ','offset" button, and then click the "Replot" button. For these data,','a linear term of 0.29 will be about right. Once you have a linear','term that is close to correct, click the "Refine" button. Once you ','are close, it is better to uncheck the "Contrain offset" button, ','however, you may find that constraining the offset helps the ','refinement when the starting value of the linear term not so close to','its correct value.','','The final values for the three parameters depend somewhat on the ','initial guesses in the refinement. Starting with a linear term of','0.29 and a quadratic term of 0, I got these values, which seem quite','good:',' offset 8952.40',' linear 0.28641',' quadratic -5.222E-6','','Now mark the "cu_08_pixel" data group by clicking on its little ','purple button. Also mark ALL of the CuS pixel data groups. Now click','the "Convert all marked pixel groups" button. This will apply the','parameters determined from the standard to all the CuS data groups. ','Be patient, this part is a bit slow, but in the end you will see that','data groups for the standard and each of the CuS groups have been ','appended to the end of the groups list.','','Click the button at the bottom to return to the main window.','','First, unmark all groups then mark "cu_08_calib" and "cu_08_data". ','Plot these two as norm(E) to see how well the calibration worked','compared to the calibration done by the ID-24 beamline scientist. ','They should be quite similar.','','The CuS data have all been converted to energy and can be overplotted.','You will find, however, that the normalization range parameters need ','to be better chosen. Click on "cus2_01_data" in the groups list to ','display that groups parameters and plot it in energy. It looks kind','of funny, particularly if norm(E) is plotted. Try changing the ','normalization range to [63:228]. ','','Now mark all of the calibrated CuS data groups, i.e. the ones whose','group labels end in "_data", "cus1_01_data", "cus1_02_data", and so','on. Set the normalization ranges for all these groups to [63:228]','by right-clicking on the words "Normalization range" and selecting','"Set marked groups to this value" from the pop-up menu.','','Now plot all of the marked groups as norm(E). Pretty cool, eh? ','And not so hard to batch process lots of data. ');
91
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added
removed
examples/athena/demos/dispersive.prj
