Hi, I am a new user trying to fit a two-component EPR spectra, but I am unable to get the EPR simulation. Can you please check my code and help me? I have included my data and code for your reference.
Thank you so much for your support.
Here is my code.
clear, clc
K=xlsread('Data.xlsx');
B=K(:,1);
spc=K(:,2);
plot(B,spc);
%%
Exp.mwFreq=9.5; % GHz
Exp.Range = [min(B) max(B)];
Nx.g = [2.0123 2.0124 2.0127];
Nx.Nucs = '14N,1H';
Nx.A = [41.5 9]; %MHz
Nx.lwpp = 0.099; % mT
NX.n=[1 0.5];
Nx1=Nx;
Nx2=Nx;
% correlation times
Nx1.logtcorr = -9;
Nx2.logtcorr = -8;
Nx1.weight = 0.5;
Nx2.weight = 0.5;
Vary1.g = [0.1 0.1 0.1];
Vary2.g = [0.1 0.1 0.1];
Vary1.weight = 0.45;
Vary2.weight = 0.45;
Vary1.logtcorr = 0.5;
Vary2.logtcorr = 0.5;
Vary1.A(1) = 10;
Vary2.A(1) = 10;
Vary1.A(2) = 8;
Vary2.A(2) = 8;
Vary1.lwpp = 0.04;
Vary2.lwpp = 0.04;
esfit(spc,@garlic,{{Nx1,Nx2}, Exp},{{Vary1,Vary2}});
Simulation spectra
- Simulation spectra.png (196.99 KiB) Viewed 11498 times
Experiment spectra
- Experiment spectra.png (37.61 KiB) Viewed 11498 times
Here is my data:
328.5 6.708169
328.515 28.01816
328.53 5.178622
328.545 -7.377873
328.5601 0.1336405
328.5751 35.0067
328.5901 -5.983959
328.6051 18.10044
328.6201 -20.09319
328.6351 -47.18328
328.6501 2.310326
328.6652 -9.333566
328.6802 -0.5703861
328.6952 3.690315
328.7102 47.76548
328.7252 -16.92378
328.7402 20.20399
328.7552 -12.57879
328.7703 -16.99887
328.7853 -10.25293
328.8003 -2.614362
328.8153 -5.466138
328.8303 8.101393
328.8453 -18.7481
328.8604 -8.253366
328.8754 -3.294354
328.8904 -5.392561
328.9054 -19.75979
328.9204 21.39651
328.9354 7.438777
328.9504 3.65889
328.9655 -20.81374
328.9805 4.480328
328.9955 34.75304
329.0105 10.50213
329.0255 -28.7802
329.0405 -29.40748
329.0555 -3.589164
329.0706 5.382697
329.0856 -52.54965
329.1006 -12.22954
329.1156 22.51315
329.1306 -17.33195
329.1457 -3.252452
329.1607 20.43575
329.1757 4.458899
329.1907 -1.531038
329.2057 40.39186
329.2207 64.67455
329.2357 -26.12759
329.2508 -15.19152
329.2658 8.036548
329.2808 -18.21939
329.2958 46.42642
329.3108 14.58777
329.3258 28.94986
329.3409 -8.399568
329.3559 10.23656
329.3709 -2.430669
329.3859 25.10703
329.4009 -5.306665
329.4159 -40.17585
329.4309 2.227282
329.446 -14.84689
329.461 13.95337
329.476 23.77306
329.491 75.8036
329.506 5.068232
329.521 27.18946
329.536 4.025962
329.5511 17.30826
329.5661 -46.97441
329.5811 -26.38353
329.5961 12.81364
329.6111 -18.50562
329.6261 -11.53663
329.6411 22.46936
329.6562 7.425651
329.6712 -21.81635
329.6862 -38.75432
329.7012 -26.606
329.7162 -33.96735
329.7312 -4.471066
329.7462 7.270295
329.7613 -36.23848
329.7763 -5.629708
329.7913 17.88151
329.8063 -6.1194
329.8213 -19.11322
329.8363 49.08376
329.8513 -24.52497
329.8664 -35.94471
329.8814 12.51589
329.8964 60.48198
329.9114 -77.45932
329.9264 45.25998
329.9414 5.830997
329.9565 -25.07721
329.9715 3.102912
329.9865 53.11247
330.0015 25.86823
330.0165 4.685667
330.0315 41.30865
330.0465 10.50311
330.0616 38.36241
330.0766 9.0102
330.0916 -17.52916
330.1066 7.915171
330.1216 -7.57277
330.1366 13.66629
330.1516 15.50564
330.1667 -16.10436
330.1817 13.2134
330.1967 -17.18696
330.2117 0.9712905
330.2267 -0.03272883
330.2417 -6.850427
330.2567 -6.69498
330.2718 54.75441
330.2868 31.07237
330.3018 17.06717
330.3168 6.602036
330.3318 -25.26563
330.3468 0.07805496
330.3618 14.89624
330.3769 -24.35074
330.3919 36.23158
330.4069 27.19333
330.4219 -13.08424
330.437 22.44441
330.452 -14.57666
330.467 -30.27343
330.482 41.69665
330.497 18.03658
330.512 26.92612
330.527 1.46761
330.5421 6.632476
330.5571 -64.47533
330.5721 -2.555732
330.5871 -29.01565
330.6021 11.51461
330.6171 -0.9253919
330.6321 23.30961
330.6472 19.98347
330.6622 23.23265
330.6772 9.966757
330.6922 -3.311442
330.7072 -16.80973
330.7222 -12.01723
330.7372 10.43928
330.7523 14.05151
330.7673 -26.6387
330.7823 7.909659
330.7973 14.36849
330.8123 12.17255
330.8273 -18.62514
330.8423 7.031854
330.8574 -10.32394
330.8724 54.79563
330.8874 31.53706
330.9024 26.28683
330.9174 -15.00561
330.9324 -24.43565
330.9474 12.43009
330.9625 41.215
330.9775 -52.47607
330.9925 -31.90527
331.0075 19.59928
331.0225 -14.94162
331.0375 19.34095
331.0526 31.17586
331.0676 -3.517091
331.0826 17.67823
331.0976 48.75541
331.1126 27.33426
331.1276 -5.458914
331.1426 5.820303
331.1577 4.207031
331.1727 -15.60742
331.1877 -2.685679
331.2027 3.327147
331.2177 -12.1798
331.2327 -31.72643
331.2477 -25.32621
331.2628 -10.18479
331.2778 -11.30206
331.2928 -17.76189
331.3078 -33.26513
331.3228 0.3079574
331.3378 -6.552171
331.3528 41.85797
331.3679 29.54991
331.3829 29.12405
331.3979 27.32948
331.4129 1.108121
331.4279 -18.7153
331.4429 -5.868398
331.4579 -7.600081
331.473 -44.74682
331.488 40.15083
331.503 -18.85285
331.518 -17.88615
331.533 -12.06656
331.548 18.42773
331.563 -18.5374
331.5781 12.97335
331.5931 -13.77687
331.6081 -10.2668
331.6231 -40.22903
331.6382 20.55287
331.6532 -1.190889
331.6682 16.62341
331.6832 -15.04066
331.6982 9.852998
331.7132 63.64505
331.7282 44.83672
331.7433 20.04268
331.7583 1.650858
331.7733 -3.199388
331.7883 24.80762
331.8033 27.45891
331.8183 32.85565
331.8333 7.726268
331.8484 17.82455
331.8634 -11.64735
331.8784 30.79885
331.8934 4.664871
331.9084 40.05719
331.9234 6.963923
331.9384 35.87979
331.9535 -45.98574
331.9685 -18.12038
331.9835 -19.85851
331.9985 30.32683
332.0135 34.55862
332.0285 7.276986
332.0435 12.74143
332.0586 8.960761
332.0736 -13.99111
332.0886 -1.123543
332.1036 34.60586
332.1186 -38.16463
332.1336 15.98428
332.1487 -35.95023
332.1637 -12.53227
332.1787 9.818914
332.1937 -35.60277
332.2087 8.812131
332.2237 52.26842
332.2387 0.3635891
332.2538 -10.14401
332.2688 10.26474
332.2838 -15.70377
332.2988 21.16959
332.3138 -1.256166
332.3288 -20.82273
332.3438 -0.5101597
332.3589 -17.58409
332.3739 -12.51579
332.3889 12.82859
332.4039 -13.76664
332.4189 -16.83779
332.4339 20.59571
332.4489 -20.93472
332.464 -35.90532
332.479 13.76095
332.494 -16.00013
332.509 3.144701
332.524 -15.93713
332.539 0.01290312
332.554 -1.233991
332.5691 -6.375143
332.5841 19.47597
332.5991 -8.729001
332.6141 11.212
332.6291 -5.532288
332.6441 14.59371
332.6591 35.6198
332.6742 -31.35546
332.6892 -8.406354
332.7042 2.147499
332.7192 -45.70251
332.7342 6.455085
332.7492 -51.82052
332.7643 4.880164
332.7793 -8.891449
332.7943 -0.1266792
332.8093 -24.67915
332.8243 9.276412
332.8393 -11.26952
332.8543 20.02285
332.8694 -8.292863
332.8844 10.12129
332.8994 -2.61069
332.9144 20.76185
332.9294 43.99598
332.9445 10.01233
332.9595 20.12177
332.9745 5.418208
332.9895 -19.9859
333.0045 -0.6930994
333.0195 -18.00402
333.0345 -18.45604
333.0496 -39.48341
333.0646 19.11976
333.0796 47.74123
333.0946 63.49647
333.1096 41.1151
333.1246 -49.54828
333.1396 -39.01403
333.1547 -9.646229
333.1697 -3.485672
333.1847 52.19273
333.1997 36.85883
333.2147 -16.5075
333.2297 5.259936
333.2448 13.92573
333.2598 -39.04473
333.2748 52.95902
333.2898 19.10904
333.3048 7.646891
333.3198 8.510748
333.3348 16.36582
333.3499 -48.21582
333.3649 -4.669931
333.3799 5.038151
333.3949 -13.48236
333.4099 43.35781
333.4249 39.38687
333.4399 47.76848
333.455 22.65046
333.47 14.33466
333.485 -3.082083
333.5 -0.06095087
333.515 -21.46235
333.53 -10.15368
333.545 -8.925873
333.5601 27.84669
333.5751 8.877867
333.5901 20.46183
333.6051 16.5136
333.6201 30.72439
333.6351 -30.66934
333.6501 49.86527
333.6652 -10.85854
333.6802 39.83801
333.6952 27.97603
333.7102 27.10779
333.7252 -0.03979887
333.7402 -15.81678
333.7552 31.83681
333.7703 65.39082
333.7853 -6.772516
333.8003 39.9929
333.8153 14.46687
333.8303 -4.225506
333.8453 26.04849
333.8604 53.9811
333.8754 81.76733
333.8904 80.60194
333.9054 23.37161
333.9204 19.21667
333.9354 39.98433
333.9504 102.358
333.9655 105.7506
333.9805 122.8024
333.9955 180.8126
334.0105 155.8901
334.0255 200.8602
334.0405 174.8996
334.0555 149.1984
334.0706 162.3939
334.0856 163.0642
334.1006 161.4269
334.1156 197.4139
334.1306 224.8011
334.1457 362.8738
334.1607 588.2571
334.1757 962.8434
334.1907 1590.714
334.2057 2577.262
334.2207 3816.766
334.2357 5011.366
334.2508 5749.618
334.2658 5773.113
334.2808 4949.138
334.2958 3545.637
334.3108 2058.331
334.3258 1009.946
334.3409 684.2366
334.3559 1172.365
334.3709 2012.489
334.3859 2593.702
334.4009 2566.744
334.4159 1487.219
334.4309 -316.9389
334.446 -2297.144
334.461 -3788.492
334.476 -4399.007
334.491 -4071.188
334.506 -2843.084
334.521 -764.9286
334.536 1563.017
334.5511 3740.123
334.5661 5236.677
334.5811 5922.156
334.5961 5275.455
334.6111 3605.671
334.6261 1072.792
334.6411 -1584.382
334.6562 -3832.784
334.6712 -4887.957
334.6862 -4852.219
334.7012 -3899.381
334.7162 -2937.933
334.7312 -2326.717
334.7462 -2360.523
334.7613 -2956.137
334.7763 -3838.93
334.7913 -4575.981
334.8063 -4633.231
334.8213 -4147.999
334.8363 -3316.77
334.8513 -2251.32
334.8664 -1418.078
334.8814 -813.095
334.8964 -591.2998
334.9114 -353.754
334.9264 -283.3951
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334.9565 -190.4444
334.9715 -150.9313
334.9865 -160.9292
335.0015 -106.35
335.0165 -77.03522
335.0315 -103.3563
335.0465 -78.94555
335.0616 -76.99438
335.0766 -45.32519
335.0916 -124.6661
335.1066 -114.7319
335.1216 -83.61292
335.1366 -34.19112
335.1516 8.449471
335.1667 -8.874133
335.1817 2.004325
335.1967 12.44369
335.2117 -30.69134
335.2267 -54.42359
335.2417 -11.6553
335.2567 -26.91491
335.2718 -30.04581
335.2868 43.53547
335.3018 -1.518247
335.3168 3.834777
335.3318 -10.40204
335.3468 -19.57464
335.3618 24.53469
335.3769 41.7851
335.3919 99.24055
335.4069 117.9254
335.4219 89.84978
335.437 138.9856
335.452 125.7394
335.467 166.5558
335.482 140.7587
335.497 155.4242
335.512 213.6949
335.527 156.6693
335.5421 165.4962
335.5571 171.0459
335.5721 202.9787
335.5871 344.8278
335.6021 580.3861
335.6171 1019.671
335.6321 1760.85
335.6472 2849.898
335.6622 3969.002
335.6772 4908.518
335.6922 5234.976
335.7072 4809.451
335.7222 3795.234
335.7372 2611.837
335.7523 1693.914
335.7673 1457.115
335.7823 2166.829
335.7973 3232.916
335.8123 4183.378
335.8273 4168.974
335.8423 3245.344
335.8574 1188.989
335.8724 -1341.769
335.8874 -3837.767
335.9024 -5467.315
335.9174 -5809.439
335.9324 -4654.992
335.9474 -2789.348
335.9625 -352.5581
335.9775 1947.798
335.9925 4012.081
336.0075 5223.26
336.0225 5409.959
336.0375 4359.325
336.0526 2578.97
336.0676 493.4712
336.0826 -1162.55
336.0976 -2366.842
336.1126 -2751.162
336.1276 -2544.154
336.1426 -2170.895
336.1577 -2193.156
336.1727 -2780.31
336.1877 -3805.115
336.2027 -4918.304
336.2177 -5630.742
336.2327 -5731.827
336.2477 -5050.687
336.2628 -3979.364
336.2778 -2755.794
336.2928 -1692.756
336.3078 -960.4257
336.3228 -590.9893
336.3378 -325.4767
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336.8033 57.95681
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336.9084 75.36778
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336.9535 117.5366
336.9685 189.5096
336.9835 212.509
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337.0135 312.9637
337.0285 534.9668
337.0435 873.32
337.0586 1361.551
337.0736 2184.021
337.0886 3089.002
337.1036 3941.713
337.1186 4370.754
337.1336 4244.15
337.1487 3469.12
337.1637 2274.464
337.1787 1095.166
337.1937 437.8711
337.2087 581.2944
337.2237 1565.07
337.2387 3031.223
337.2538 4610.022
337.2688 5395.087
337.2838 4985.867
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337.4339 1676.208
337.4489 3337.604
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337.494 3152.294
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338.2297 -21.89471
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338.3048 9.661617
338.3198 -39.21898
338.3348 -7.497165
338.3499 -30.7908
338.3649 17.28541
338.3799 1.579219
338.3949 29.85143
338.4099 17.00336
338.4249 37.38266
338.4399 -1.296853
338.455 -21.20969
338.47 -33.41861
338.485 12.40322
338.5 -14.12014
338.515 20.49898
338.53 7.981934
338.545 -9.587907
338.5601 37.21398
338.5751 26.02537
338.5901 -24.07163
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338.6201 10.48328
338.6351 -23.99343
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338.6802 31.71445
338.6952 38.02784
338.7102 17.52789
338.7252 -8.105069
338.7402 28.36848
338.7552 25.65713
338.7703 5.994468
338.7853 51.83566
338.8003 46.06314
338.8153 37.80926
338.8303 36.68251
338.8453 -22.17498
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338.8904 13.70278
338.9054 20.57105
338.9204 6.10297
338.9354 -22.39893
338.9504 12.8519
338.9655 -12.20891
338.9805 -1.514905
338.9955 58.53757
339.0105 59.51299
339.0255 44.4246
339.0405 7.927762
339.0555 4.763108
339.0706 7.200872
339.0856 17.63838
339.1006 46.41674
339.1156 -10.85733
339.1306 12.20459
339.1457 33.01085
339.1607 -8.66318
339.1757 43.00227
339.1907 8.901945
339.2057 -25.74922
339.2207 18.67175
339.2357 40.2852
339.2508 -2.329564
339.2658 40.64543
339.2808 44.30144
339.2958 -11.20233
339.3108 12.2561
339.3258 12.58646
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