NaCl.gr

[DEFAULT]

version = pdfgetx3-1.1.post2

# input and output specifications
dataformat = twotheta
inputfile = NaCl_ramp01_10f_200ms_0973.chi
backgroundfile =
outputtype = gr

# PDF calculation setup
mode = xray
wavelength = 0.21281
composition = NaCl
bgscale = 1
rpoly = 0.7
qmaxinst = 23
qmin = 0.01
qmax = 21
rmin = 0.01
rmax = 50
rstep = 0.01

# End of config --------------------------------------------------------------

#### start data
#S 1
#L r($\AA$)  G($\AA^{-2}$)
0.01 0.00100824
0.02 0.00203904
0.03 0.00310876
0.04 0.00422502
0.05 0.00538342
0.06 0.00656523
0.07 0.00773621
0.08 0.00884672
0.09 0.00983321
0.1 0.0106211
0.11 0.0111288
0.12 0.0112731
0.13 0.0109596
0.14 0.0101118
0.15 0.00870142
0.16 0.00670869
0.17 0.00414586
0.18 0.00106172
0.19 -0.00245506
0.2 -0.00627441
0.21 -0.0102253
0.22 -0.0140984
0.23 -0.0176509
0.24 -0.0206138
0.25 -0.0227007
0.26 -0.0235301
0.27 -0.0228606
0.28 -0.0204403
0.29 -0.0160447
0.3 -0.00949966
0.31 -0.000694183
0.32 0.0104079
0.33 0.0237586
0.34 0.0392187
0.35 0.0565539
0.36 0.0754342
0.37 0.0954366
0.38 0.116052
0.39 0.136641
0.4 0.156522
0.41 0.175
0.42 0.191358
0.43 0.204884
0.44 0.214891
0.45 0.220742
0.46 0.221874
0.47 0.217823
0.48 0.208239
0.49 0.192909
0.5 0.171767
0.51 0.144617
0.52 0.111968
0.53 0.0743574
0.54 0.0323897
0.55 -0.0131885
0.56 -0.0615041
0.57 -0.111579
0.58 -0.162357
0.59 -0.212732
0.6 -0.261578
0.61 -0.307783
0.62 -0.350283
0.63 -0.388006
0.64 -0.419799
0.65 -0.445208
0.66 -0.463683
0.67 -0.474858
0.68 -0.478557
0.69 -0.474809
0.7 -0.463838
0.71 -0.446065
0.72 -0.42209
0.73 -0.392677
0.74 -0.358726
0.75 -0.321253
0.76 -0.281294
0.77 -0.240141
0.78 -0.198996
0.79 -0.158977
0.8 -0.121132
0.81 -0.0864172
0.82 -0.0556596
0.83 -0.0295394
0.84 -0.00856908
0.85 0.00691847
0.86 0.016777
0.87 0.0210473
0.88 0.0199151
0.89 0.0135413
0.9 0.00282106
0.91 -0.0115552
0.92 -0.0288002
0.93 -0.0480602
0.94 -0.0684463
0.95 -0.0890666
0.96 -0.109058
0.97 -0.127615
0.98 -0.144018
0.99 -0.157659
1 -0.168054
1.01 -0.174724
1.02 -0.177502
1.03 -0.176493
1.04 -0.171843
1.05 -0.163834
1.06 -0.152877
1.07 -0.139487
1.08 -0.124266
1.09 -0.107872
1.1 -0.0909992
1.11 -0.0743438
1.12 -0.0585809
1.13 -0.0443376
1.14 -0.0323421
1.15 -0.0229319
1.16 -0.0164393
1.17 -0.0130755
1.18 -0.0129241
1.19 -0.0159397
1.2 -0.0219522
1.21 -0.0306758
1.22 -0.0417221
1.23 -0.0546169
1.24 -0.0688203
1.25 -0.0837487
1.26 -0.0987841
1.27 -0.11327
1.28 -0.126641
1.29 -0.138389
1.3 -0.148077
1.31 -0.155362
1.32 -0.159999
1.33 -0.161856
1.34 -0.160911
1.35 -0.15726
1.36 -0.151104
1.37 -0.142744
1.38 -0.132567
1.39 -0.12098
1.4 -0.1086
1.41 -0.0959809
1.42 -0.0836701
1.43 -0.0721988
1.44 -0.0620623
1.45 -0.0537012
1.46 -0.0474853
1.47 -0.0437005
1.48 -0.0425395
1.49 -0.0440955
1.5 -0.0483602
1.51 -0.0552792
1.52 -0.0646853
1.53 -0.0761597
1.54 -0.0893352
1.55 -0.103792
1.56 -0.119074
1.57 -0.134709
1.58 -0.150223
1.59 -0.165165
1.6 -0.179117
1.61 -0.191712
1.62 -0.202648
1.63 -0.211696
1.64 -0.218597
1.65 -0.223363
1.66 -0.226061
1.67 -0.2268
1.68 -0.225763
1.69 -0.22319
1.7 -0.219373
1.71 -0.214636
1.72 -0.209323
1.73 -0.20378
1.74 -0.198345
1.75 -0.193327
1.76 -0.189011
1.77 -0.185668
1.78 -0.183412
1.79 -0.182334
1.8 -0.182456
1.81 -0.183737
1.82 -0.186076
1.83 -0.189319
1.84 -0.193268
1.85 -0.19769
1.86 -0.202334
1.87 -0.206943
1.88 -0.211265
1.89 -0.215036
1.9 -0.218058
1.91 -0.220198
1.92 -0.221365
1.93 -0.221526
1.94 -0.220711
1.95 -0.219013
1.96 -0.216583
1.97 -0.213622
1.98 -0.21038
1.99 -0.207136
2 -0.204192
2.01 -0.20186
2.02 -0.200511
2.03 -0.200372
2.04 -0.201672
2.05 -0.204586
2.06 -0.209225
2.07 -0.215627
2.08 -0.223753
2.09 -0.233483
2.1 -0.24462
2.11 -0.25689
2.12 -0.269956
2.13 -0.283423
2.14 -0.296833
2.15 -0.30968
2.16 -0.321495
2.17 -0.331817
2.18 -0.340222
2.19 -0.346331
2.2 -0.349834
2.21 -0.350499
2.22 -0.34819
2.23 -0.342869
2.24 -0.334606
2.25 -0.323576
2.26 -0.310061
2.27 -0.294329
2.28 -0.277022
2.29 -0.258691
2.3 -0.239934
2.31 -0.221379
2.32 -0.20366
2.33 -0.187397
2.34 -0.173169
2.35 -0.161493
2.36 -0.152802
2.37 -0.147426
2.38 -0.145575
2.39 -0.147433
2.4 -0.152954
2.41 -0.161766
2.42 -0.173492
2.43 -0.187625
2.44 -0.203527
2.45 -0.220457
2.46 -0.237581
2.47 -0.253999
2.48 -0.26877
2.49 -0.280938
2.5 -0.289564
2.51 -0.293748
2.52 -0.292307
2.53 -0.284741
2.54 -0.270515
2.55 -0.249192
2.56 -0.220497
2.57 -0.184325
2.58 -0.140756
2.59 -0.0900485
2.6 -0.0326417
2.61 0.0308543
2.62 0.099671
2.63 0.172898
2.64 0.24955
2.65 0.328451
2.66 0.408237
2.67 0.487659
2.68 0.565459
2.69 0.640398
2.7 0.711285
2.71 0.777001
2.72 0.836524
2.73 0.888951
2.74 0.933513
2.75 0.969589
2.76 0.99672
2.77 1.01412
2.78 1.022
2.79 1.02058
2.8 1.01008
2.81 0.990872
2.82 0.963455
2.83 0.928451
2.84 0.886583
2.85 0.838653
2.86 0.785529
2.87 0.728117
2.88 0.667348
2.89 0.604133
2.9 0.539399
2.91 0.47415
2.92 0.409213
2.93 0.345352
2.94 0.28326
2.95 0.223547
2.96 0.166738
2.97 0.113265
2.98 0.063472
2.99 0.0176084
3 -0.0241639
3.01 -0.061769
3.02 -0.0950302
3.03 -0.124122
3.04 -0.149301
3.05 -0.170782
3.06 -0.188823
3.07 -0.203728
3.08 -0.215827
3.09 -0.225476
3.1 -0.233043
3.11 -0.238901
3.12 -0.243423
3.13 -0.24697
3.14 -0.249885
3.15 -0.252497
3.16 -0.255129
3.17 -0.258036
3.18 -0.261431
3.19 -0.265488
3.2 -0.270337
3.21 -0.276059
3.22 -0.282692
3.23 -0.290227
3.24 -0.298611
3.25 -0.307749
3.26 -0.317506
3.27 -0.327725
3.28 -0.338187
3.29 -0.348657
3.3 -0.3589
3.31 -0.368676
3.32 -0.377745
3.33 -0.38588
3.34 -0.392871
3.35 -0.398536
3.36 -0.402723
3.37 -0.405324
3.38 -0.406274
3.39 -0.405559
3.4 -0.403113
3.41 -0.399144
3.42 -0.393807
3.43 -0.387301
3.44 -0.379869
3.45 -0.37179
3.46 -0.36337
3.47 -0.354933
3.48 -0.346808
3.49 -0.339319
3.5 -0.332768
3.51 -0.327426
3.52 -0.323566
3.53 -0.321381
3.54 -0.320896
3.55 -0.322115
3.56 -0.324952
3.57 -0.32923
3.58 -0.334676
3.59 -0.340922
3.6 -0.347512
3.61 -0.353902
3.62 -0.359478
3.63 -0.36356
3.64 -0.365425
3.65 -0.364097
3.66 -0.358908
3.67 -0.349142
3.68 -0.334088
3.69 -0.313096
3.7 -0.285597
3.71 -0.251122
3.72 -0.209322
3.73 -0.159983
3.74 -0.10304
3.75 -0.0385854
3.76 0.0331208
3.77 0.111782
3.78 0.196909
3.79 0.287396
3.8 0.382314
3.81 0.480601
3.82 0.581081
3.83 0.682484
3.84 0.783469
3.85 0.882653
3.86 0.978637
3.87 1.07003
3.88 1.1555
3.89 1.23375
3.9 1.30313
3.91 1.36278
3.92 1.41196
3.93 1.44993
3.94 1.47615
3.95 1.49025
3.96 1.49205
3.97 1.48159
3.98 1.45906
3.99 1.42489
4 1.37964
4.01 1.32407
4.02 1.25893
4.03 1.18498
4.04 1.10385
4.05 1.01676
4.06 0.924948
4.07 0.829689
4.08 0.732256
4.09 0.633895
4.1 0.535806
4.11 0.439122
4.12 0.344891
4.13 0.254058
4.14 0.167458
4.15 0.0860443
4.16 0.0103429
4.17 -0.059344
4.18 -0.122721
4.19 -0.179619
4.2 -0.229992
4.21 -0.273908
4.22 -0.311538
4.23 -0.343144
4.24 -0.369068
4.25 -0.389716
4.26 -0.405546
4.27 -0.417031
4.28 -0.42451
4.29 -0.428777
4.3 -0.430357
4.31 -0.429755
4.32 -0.427452
4.33 -0.423894
4.34 -0.419488
4.35 -0.414592
4.36 -0.409516
4.37 -0.404519
4.38 -0.399803
4.39 -0.395522
4.4 -0.391796
4.41 -0.388673
4.42 -0.386134
4.43 -0.384133
4.44 -0.382591
4.45 -0.381392
4.46 -0.380398
4.47 -0.379445
4.48 -0.378354
4.49 -0.376933
4.5 -0.374984
4.51 -0.372305
4.52 -0.368696
4.53 -0.363878
4.54 -0.357729
4.55 -0.350085
4.56 -0.340798
4.57 -0.329739
4.58 -0.316806
4.59 -0.30192
4.6 -0.285034
4.61 -0.266129
4.62 -0.24522
4.63 -0.222355
4.64 -0.197619
4.65 -0.171085
4.66 -0.142904
4.67 -0.113342
4.68 -0.0826277
4.69 -0.0510203
4.7 -0.018809
4.71 0.013691
4.72 0.0461425
4.73 0.0781903
4.74 0.109466
4.75 0.139594
4.76 0.168197
4.77 0.194901
4.78 0.219193
4.79 0.240815
4.8 0.259477
4.81 0.274896
4.82 0.286827
4.83 0.295067
4.84 0.299464
4.85 0.299915
4.86 0.296374
4.87 0.288849
4.88 0.277409
4.89 0.262177
4.9 0.243265
4.91 0.220834
4.92 0.195347
4.93 0.167136
4.94 0.136566
4.95 0.104033
4.96 0.0699535
4.97 0.0347542
4.98 -0.0011336
4.99 -0.0372845
5 -0.0732872
5.01 -0.108753
5.02 -0.143323
5.03 -0.1766
5.04 -0.208328
5.05 -0.238307
5.06 -0.266367
5.07 -0.29239
5.08 -0.316312
5.09 -0.338119
5.1 -0.357848
5.11 -0.37558
5.12 -0.391434
5.13 -0.405564
5.14 -0.418145
5.15 -0.42936
5.16 -0.439376
5.17 -0.448469
5.18 -0.456828
5.19 -0.464623
5.2 -0.471999
5.21 -0.479064
5.22 -0.48589
5.23 -0.492506
5.24 -0.498895
5.25 -0.504995
5.26 -0.510697
5.27 -0.515853
5.28 -0.520233
5.29 -0.523609
5.3 -0.525751
5.31 -0.526396
5.32 -0.525276
5.33 -0.522128
5.34 -0.516705
5.35 -0.508785
5.36 -0.498182
5.37 -0.484756
5.38 -0.468419
5.39 -0.449143
5.4 -0.426953
5.41 -0.401805
5.42 -0.374074
5.43 -0.344023
5.44 -0.311978
5.45 -0.278329
5.46 -0.243523
5.47 -0.20805
5.48 -0.172439
5.49 -0.137241
5.5 -0.10302
5.51 -0.0703412
5.52 -0.0397526
5.53 -0.0118861
5.54 0.0127404
5.55 0.0337966
5.56 0.0509273
5.57 0.0638498
5.58 0.0723606
5.59 0.0763396
5.6 0.0757528
5.61 0.0706516
5.62 0.061171
5.63 0.0475252
5.64 0.0300011
5.65 0.00894997
5.66 -0.0153976
5.67 -0.042363
5.68 -0.0714517
5.69 -0.102161
5.7 -0.133982
5.71 -0.166416
5.72 -0.198979
5.73 -0.231215
5.74 -0.262707
5.75 -0.293076
5.76 -0.321996
5.77 -0.349186
5.78 -0.37436
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5.8 -0.417969
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5.83 -0.465665
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5.85 -0.485346
5.86 -0.49156
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5.88 -0.49672
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5.9 -0.491972
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5.93 -0.464152
5.94 -0.448873
5.95 -0.430268
5.96 -0.408118
5.97 -0.382197
5.98 -0.352285
5.99 -0.318178
6 -0.279702
6.01 -0.23672
6.02 -0.189151
6.03 -0.136887
6.04 -0.079861
6.05 -0.0184514
6.06 0.0470991
6.07 0.116454
6.08 0.189181
6.09 0.264757
6.1 0.342566
6.11 0.42191
6.12 0.50202
6.13 0.582063
6.14 0.661158
6.15 0.738394
6.16 0.812656
6.17 0.883038
6.18 0.948695
6.19 1.00877
6.2 1.06248
6.21 1.10911
6.22 1.14802
6.23 1.17871
6.24 1.20076
6.25 1.21389
6.26 1.21796
6.27 1.21291
6.28 1.19877
6.29 1.17537
6.3 1.1436
6.31 1.10393
6.32 1.05693
6.33 1.00324
6.34 0.943592
6.35 0.878759
6.36 0.809562
6.37 0.736846
6.38 0.661469
6.39 0.584291
6.4 0.506156
6.41 0.427916
6.42 0.35043
6.43 0.274445
6.44 0.20066
6.45 0.129728
6.46 0.0622509
6.47 -0.00121872
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6.5 -0.16278
6.51 -0.205645
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6.55 -0.312601
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6.64 -0.136419
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6.67 0.045252
6.68 0.116578
6.69 0.192116
6.7 0.271102
6.71 0.35269
6.72 0.435963
6.73 0.519941
6.74 0.603593
6.75 0.685851
6.76 0.765627
6.77 0.841831
6.78 0.913387
6.79 0.97882
6.8 1.03744
6.81 1.08839
6.82 1.13085
6.83 1.16415
6.84 1.18774
6.85 1.20121
6.86 1.20429
6.87 1.19688
6.88 1.17905
6.89 1.151
6.9 1.11311
6.91 1.06568
6.92 1.0093
6.93 0.945165
6.94 0.874183
6.95 0.797343
6.96 0.715699
6.97 0.630346
6.98 0.542396
6.99 0.452957
7 0.363111
7.01 0.273891
7.02 0.186268
7.03 0.101128
7.04 0.0194891
7.05 -0.058083
7.06 -0.131081
7.07 -0.199081
7.08 -0.261782
7.09 -0.319003
7.1 -0.370677
7.11 -0.416846
7.12 -0.457646
7.13 -0.493301
7.14 -0.524106
7.15 -0.550415
7.16 -0.572553
7.17 -0.590869
7.18 -0.606003
7.19 -0.618391
7.2 -0.628456
7.21 -0.636593
7.22 -0.64317
7.23 -0.648509
7.24 -0.652895
7.25 -0.656562
7.26 -0.6597
7.27 -0.662455
7.28 -0.664928
7.29 -0.667178
7.3 -0.669245
7.31 -0.671139
7.32 -0.672848
7.33 -0.674349
7.34 -0.675619
7.35 -0.676632
7.36 -0.677373
7.37 -0.677836
7.38 -0.678031
7.39 -0.677981
7.4 -0.677729
7.41 -0.677328
7.42 -0.676849
7.43 -0.676381
7.44 -0.676006
7.45 -0.675808
7.46 -0.675863
7.47 -0.676239
7.48 -0.676984
7.49 -0.678125
7.5 -0.679665
7.51 -0.681574
7.52 -0.683794
7.53 -0.686231
7.54 -0.688755
7.55 -0.691189
7.56 -0.693337
7.57 -0.69498
7.58 -0.695879
7.59 -0.69578
7.6 -0.694424
7.61 -0.69155
7.62 -0.686904
7.63 -0.680249
7.64 -0.671371
7.65 -0.660084
7.66 -0.64623
7.67 -0.629537
7.68 -0.610121
7.69 -0.587986
7.7 -0.563187
7.71 -0.535833
7.72 -0.50609
7.73 -0.474174
7.74 -0.440351
7.75 -0.40493
7.76 -0.368264
7.77 -0.330735
7.78 -0.292757
7.79 -0.254774
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