Hello,
I am a new one of easyspin. I want to get the following txt file with multiple radical fitting graphs. This includes the fitting of methyl radicals, acetoxy radicals, methyl peroxy radicals and hydroxyl radicals. But unfortunately I can only get a part of the fitted data, as shown in the figure 1 below. How can I change my code to make my fitting better? And I would like to know how to get the extracted hyperfine splitting constants (aP, aN and aH) for each radical.Thank you so much for helping me out!
txt file:
3435.000000 65.518295
3435.146729 1459.539795
3435.293213 -124.431633
3435.439941 -1668.405151
3435.586426 -1385.384399
3435.733154 -791.358459
3435.879883 346.670776
3436.026367 675.693298
3436.173096 129.716187
3436.319580 876.745911
3436.466309 493.771973
3436.612793 735.793457
3436.759521 -741.178711
3436.906250 -1435.149170
3437.052734 -934.126587
3437.199463 -1986.101685
3437.345947 -512.070557
3437.492676 -656.044556
3437.639404 760.978394
3437.785889 -116.991417
3437.932617 1642.038574
3438.079102 2087.062012
3438.225830 997.089600
3438.372314 820.122253
3438.519043 -927.851257
3438.665771 993.174011
3438.812256 2233.206787
3438.958984 358.237671
3439.105469 1515.262695
3439.252197 115.293640
3439.398926 1427.328125
3439.545410 761.355713
3439.692139 306.384247
3439.838623 190.420105
3439.985352 -1199.547729
3440.132080 248.479935
3440.278564 323.514740
3440.425293 -83.448601
3440.571777 -1406.418945
3440.718506 -1969.386230
3440.864990 -1947.346924
3441.011719 -799.312805
3441.158447 -1160.281372
3441.304932 313.758087
3441.451660 -83.202515
3441.598145 413.830322
3441.744873 1543.868164
3441.891602 2389.911621
3442.038086 1406.948608
3442.184814 1403.985107
3442.331299 -545.969971
3442.478027 -868.927063
3442.624512 843.110291
3442.771240 2558.154541
3442.917969 1078.202759
3443.064453 2928.244141
3443.211182 1197.287109
3443.357666 -744.661438
3443.504395 2212.386230
3443.651123 1356.429810
3443.797607 370.481750
3443.944336 -1236.463867
3444.090820 -1280.416626
3444.237549 -1658.365234
3444.384277 -239.305923
3444.530762 2452.748047
3444.677490 753.800049
3444.823975 -550.138367
3444.970703 -1961.076294
3445.117188 2.979198
3445.263916 113.041351
3445.410645 -82.889610
3445.557129 -1145.826904
3445.703857 -599.763794
3445.850342 1131.309814
3445.997070 -158.618149
3446.143799 1103.448730
3446.290283 -142.475327
3446.437012 -511.393890
3446.583496 -1262.319336
3446.730225 -1865.241333
3446.876953 2067.847656
3447.023438 1549.933105
3447.170166 -428.984436
3447.316650 1076.109375
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3447.609863 -419.701752
3447.756592 -294.603790
3447.903320 -383.495117
3448.049805 1452.609009
3448.196533 282.713013
3448.343018 -264.169525
3448.489746 -2988.049805
3448.636475 -826.935364
3448.782959 778.189697
3448.929688 -490.674957
3449.076172 -147.544647
3449.222900 -1977.410522
3449.369385 -2039.260986
3449.516113 260.889435
3449.662842 2239.037354
3449.809326 1961.199829
3449.956055 893.372375
3450.102539 843.540527
3450.249268 551.717590
3450.395996 -648.087952
3450.542480 294.106964
3450.689209 313.303650
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3451.129150 -825.029358
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3452.302002 -480.745728
3452.448730 1533.614868
3452.595215 1830.981567
3452.741943 1655.367554
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3453.035156 3230.225586
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3453.621582 -1712.767700
3453.768311 -2408.189941
3453.915039 164.437836
3454.061523 1305.095215
3454.208252 1028.788086
3454.354736 17.543531
3454.501465 1546.351196
3454.648193 485.200256
3454.794678 -11.880220
3454.941406 -950.880188
3455.087891 -1969.818848
3455.234619 -2049.678467
3455.381348 814.572205
3455.527832 1810.921143
3455.674561 -838.630859
3455.821045 -666.041870
3455.967773 13.699640
3456.114258 -803.416565
3456.260986 -1463.351318
3456.407715 292.938049
3456.554199 -266.550812
3456.700928 519.210266
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3460.366455 5045.184082
3460.513184 6019.811035
3460.659912 8232.752930
3460.806396 10509.088867
3460.953125 12169.936523
3461.099609 11914.514648
3461.246338 11228.823242
3461.393066 4981.133301
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3462.126221 -9560.811523
3462.272705 -9734.193359
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3462.859131 -3226.420166
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3463.445801 -757.965576
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3464.178955 -61.717041
3464.325439 463.553772
3464.472168 472.563599
3464.618652 2388.434570
3464.765381 3237.044189
3464.912109 4944.315430
3465.058594 9832.748047
3465.205322 13067.833008
3465.351807 18346.695313
3465.498535 24297.968750
3465.645264 28382.226563
3465.791748 31264.796875
3465.938477 33380.894531
3466.084961 29982.761719
3466.231689 20451.136719
3466.378418 9519.456055
3466.524902 -2662.993408
3466.671631 -14475.142578
3466.818115 -22274.441406
3466.964844 -23685.296875
3467.111328 -22209.722656
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3467.991211 -10384.157227
3468.137939 -8710.765625
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3468.577637 -5232.671387
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3468.870850 -3447.307617
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