Information in tkutils.set_exception(): Set excption handler sys.excepthook #======================================================== # Fitting to multiple peaks #======================================================== Check infile parameter: Input file [xrd.xlsx] is given. Paramter file is set to [D:\git\tkProg\tkprog_COE\optimize\optimize_peakfit\test\xrd.in]. Update paramers from command line arguments i=1 positional arg: fit Read configration file [D:\git\tkProg\tkprog_COE\optimize\optimize_peakfit\test\xrd.in] Read parameters from [D:\git\tkProg\tkprog_COE\optimize\optimize_peakfit\test\xrd.in] alpha: 0 converted_file: cv: daemon: 0 datafile: xrd-cal.xlsx dx: 1e-05 ffitfiles: 0 fhistory: 1 figsize: [8, 6] file1: fit file2: file3: file4: file5: fitfile: xrd-fit.xlsx fitfile_template: {filebody}_parameters.csv fmax_plot: 10 fmax_record: 2000 fmin_max_mlr: 60 fontsize: 16 fplot: 1 ga_nmaxiter: 3 graphupdateinterval: 10 help: 0 hidden_layer_sizes: 3,3,3 historyfile: D:\git\tkProg\tkprog_COE\optimize\optimize_peakfit\test\xrd-history.xlsx infile: xrd.xlsx initialize_method: simplex input_template: interval: 50 ix_plot: ix_sort: jac: 3-points kvariance: 6 l1_ratio: 0.5 legend_fontsize: 12 logfile: D:\git\tkProg\tkprog_COE\optimize\optimize_peakfit\test\xrd-out.txt max_iter_mlp: 1000 max_num_probes: 1 method: bfgs mode: inf mutation_rate: 0.01 n_restarts_optimizer: 50 ncal_error: 11 nmax_surrogate_trial: 5 nmaxcall: 10000 nmaxdata: 20 nmaxiter: 1000 nohup: 0 norder: 4 nparents: 5 nsample: 100 nsmooth: 11 num_rand_basis: 400 nx: 5 outfile: input-repeat.xlsx parameterfile: D:\git\tkProg\tkprog_COE\optimize\optimize_peakfit\test\xrd.in plot_interval: 5 print_interval: 5 run: 1 sample: score_mode: EI seed: surrogate_method: cg surrogate_model: gpr surrogate_scores: max target_var: 0 test_data_ratio: 0.2 threshold: 10000 tol: 1e-05 trainfile: fit_db.xlsx use_cv: 0 use_tkplt: 0 x0: x1: x_scale: xatol: 1e-08 xlabel: 0 xmax: 40.0 xmin: 20.0 y_scale: ydiff1_threshold: 1 ylabel: 1 infile: xrd.xlsx parameterfile: D:\git\tkProg\tkprog_COE\optimize\optimize_peakfit\test\xrd.in stop file: D:\git\tkProg\tkprog_COE\optimize\optimize_peakfit\test\stop Non-linear LSQ fitting: In tkminimize_func.read_parameters(): Read parameters from [D:\git\tkProg\tkprog_COE\optimize\optimize_peakfit\test\xrd.in] mode : fit fplot : 1 fhistory : 1 ffitfiles : 0 stop path : D:\git\tkProg\tkprog_COE\optimize\optimize_peakfit\test\stop infile : xrd.xlsx outfile : input-repeat.xlsx config parameter file : D:\git\tkProg\tkprog_COE\optimize\optimize_peakfit\test\xrd.in fitting parameter file: D:\git\tkProg\tkprog_COE\optimize\optimize_peakfit\test\xrd_parameters.csv history file : D:\git\tkProg\tkprog_COE\optimize\optimize_peakfit\test\xrd-history.xlsx Fitting configuration method : bfgs jac : 3-points tol : 1e-05 nmaxiter: 1000 nmaxcall: 10000 y_scale : Fitting parameters red from [D:\git\tkProg\tkprog_COE\optimize\optimize_peakfit\test\xrd_parameters.csv]: 00: bg_c0= 1340 (id=1) (linear=0) penality: 1 * (-1e+10 - 1e+10) 01: I01= 50370.9 (id=1) (linear=1) penality: 1 * (-1e+10 - 1e+10) 02: xc1= 24.0784 (id=1) (linear=0) penality: 1 * (0 - 180) 03: w1= 0.187958 (id=1) (linear=0) penality: 1 * (0 - 100) 04: I02= 1.12519e+06 (id=1) (linear=1) penality: 1 * (-1e+10 - 1e+10) 05: xc2= 29.8826 (id=1) (linear=0) penality: 1 * (0 - 180) 06: w2= 0.206628 (id=1) (linear=0) penality: 1 * (0 - 100) 07: I04= 198745 (id=1) (linear=1) penality: 1 * (-1e+10 - 1e+10) 08: xc4= 31.0453 (id=1) (linear=0) penality: 1 * (0 - 180) 09: w4= 0.239953 (id=1) (linear=0) penality: 1 * (0 - 100) 10: I05= 222180 (id=1) (linear=1) penality: 1 * (-1e+10 - 1e+10) 11: xc5= 32.7205 (id=1) (linear=0) penality: 1 * (0 - 180) 12: w5= 0.196184 (id=1) (linear=0) penality: 1 * (0 - 100) 13: I06=-6.13954e+08 (id=1) (linear=1) penality: 1 * (-1e+10 - 1e+10) 14: xc6= 180 (id=1) (linear=0) penality: 1 * (0 - 180) 15: w6= 0.300323 (id=1) (linear=0) penality: 1 * (0 - 100) 16: I08= 373060 (id=1) (linear=1) penality: 1 * (-1e+10 - 1e+10) 17: xc8= 37.343 (id=1) (linear=0) penality: 1 * (0 - 180) 18: w8= 0.247018 (id=1) (linear=0) penality: 1 * (0 - 100) Parameter file: [D:\git\tkProg\tkprog_COE\optimize\optimize_peakfit\test\xrd.in] Fitting parameter file: [D:\git\tkProg\tkprog_COE\optimize\optimize_peakfit\test\xrd_parameters.csv] Read input data from [xrd.xlsx] minimize_func.read_input_data(): Read input data from [xrd.xlsx] Save input data repeat to [input-repeat.xlsx] Fitting parameters: 00: bg_c0= 1340 (id=1) (linear=0) penality: 1 * (-1e+10 - 1e+10) 01: I01= 50370.9 (id=1) (linear=1) penality: 1 * (-1e+10 - 1e+10) 02: xc1= 24.0784 (id=1) (linear=0) penality: 1 * (0 - 180) 03: w1= 0.187958 (id=1) (linear=0) penality: 1 * (0 - 100) 04: I02= 1.12519e+06 (id=1) (linear=1) penality: 1 * (-1e+10 - 1e+10) 05: xc2= 29.8826 (id=1) (linear=0) penality: 1 * (0 - 180) 06: w2= 0.206628 (id=1) (linear=0) penality: 1 * (0 - 100) 07: I04= 198745 (id=1) (linear=1) penality: 1 * (-1e+10 - 1e+10) 08: xc4= 31.0453 (id=1) (linear=0) penality: 1 * (0 - 180) 09: w4= 0.239953 (id=1) (linear=0) penality: 1 * (0 - 100) 10: I05= 222180 (id=1) (linear=1) penality: 1 * (-1e+10 - 1e+10) 11: xc5= 32.7205 (id=1) (linear=0) penality: 1 * (0 - 180) 12: w5= 0.196184 (id=1) (linear=0) penality: 1 * (0 - 100) 13: I06=-6.13954e+08 (id=1) (linear=1) penality: 1 * (-1e+10 - 1e+10) 14: xc6= 180 (id=1) (linear=0) penality: 1 * (0 - 180) 15: w6= 0.300323 (id=1) (linear=0) penality: 1 * (0 - 100) 16: I08= 373060 (id=1) (linear=1) penality: 1 * (-1e+10 - 1e+10) 17: xc8= 37.343 (id=1) (linear=0) penality: 1 * (0 - 180) 18: w8= 0.247018 (id=1) (linear=0) penality: 1 * (0 - 100) Calculate initial function xc1=29.88255784078761 Warning: fmin=7773.37 is larger than fmax_record=2000. Skip recording Initial function: fmin= 7773 Initial data: 2Theta I initial 20 4995 -2.394 21 652 206 22 559.3 613.9 23 1719 1969 24 4.366e+04 4.383e+04 25 2284 3664 26 3539 3475 27 5843 6105 28 1.401e+04 1.432e+04 29 5.91e+04 6.11e+04 30 8.487e+05 8.609e+05 31 2.323e+05 2.314e+05 32 3.563e+04 3.739e+04 33 8.211e+04 8.122e+04 34 7988 1.002e+04 35 5412 7016 36 1.028e+04 1.343e+04 37 1.114e+05 1.278e+05 38 6.439e+04 4.608e+04 39 7447 7648 40 3380 2492 fini=7773.3654480642135 Save input and initial data to [input-repeat.xlsx] Initial plot method: bfgs plot_std: False Optimize: Variables 00: bg_c0= 1340 (id=1) (linear=0) penality: 1 * (-1e+10 - 1e+10) 01: I01= 50370.9 (id=1) (linear=1) penality: 1 * (-1e+10 - 1e+10) 02: xc1= 24.0784 (id=1) (linear=0) penality: 1 * (0 - 180) 03: w1= 0.187958 (id=1) (linear=0) penality: 1 * (0 - 100) 04: I02= 1.12519e+06 (id=1) (linear=1) penality: 1 * (-1e+10 - 1e+10) 05: xc2= 29.8826 (id=1) (linear=0) penality: 1 * (0 - 180) 06: w2= 0.206628 (id=1) (linear=0) penality: 1 * (0 - 100) 07: I04= 198745 (id=1) (linear=1) penality: 1 * (-1e+10 - 1e+10) 08: xc4= 31.0453 (id=1) (linear=0) penality: 1 * (0 - 180) 09: w4= 0.239953 (id=1) (linear=0) penality: 1 * (0 - 100) 10: I05= 222180 (id=1) (linear=1) penality: 1 * (-1e+10 - 1e+10) 11: xc5= 32.7205 (id=1) (linear=0) penality: 1 * (0 - 180) 12: w5= 0.196184 (id=1) (linear=0) penality: 1 * (0 - 100) 13: I06=-6.13954e+08 (id=1) (linear=1) penality: 1 * (-1e+10 - 1e+10) 14: xc6= 180 (id=1) (linear=0) penality: 1 * (0 - 180) 15: w6= 0.300323 (id=1) (linear=0) penality: 1 * (0 - 100) 16: I08= 373060 (id=1) (linear=1) penality: 1 * (-1e+10 - 1e+10) 17: xc8= 37.343 (id=1) (linear=0) penality: 1 * (0 - 180) 18: w8= 0.247018 (id=1) (linear=0) penality: 1 * (0 - 100) Optimizing parameters: method =bfgs nmaxiter=1000 tol =1e-05 xatol =1e-08 optpk=[1339.9967032230304, 50370.9162628487, 24.07840124781179, 0.18795826976734245, 1125192.4741199657, 29.88255784078761, 0.2066283138453498, 198744.6090192844, 31.045276690553823, 0.23995282120588718, 222179.64462184111, 32.72053613294045, 0.19618379687717524, -613954099.9999808, 180.0, 0.3003231562386854, 373060.4206236423, 37.343033884052694, 0.24701769726141434] Start minimization: xc1=29.88255784078761 Normalized diffrence of parameters: 0 Warning: fmin=7773.37 is larger than fmax_record=2000. Skip recording xc1=29.88255784078761 Normalized diffrence of parameters: 5.85279e-13 Warning: Normalized difference of parameters [5.852787845569791e-13] is smaller than eps=1e-08. Skip recording xc1=29.88255784078761 Normalized diffrence of parameters: 5.85486e-13 Warning: Normalized difference of parameters [5.85485848141223e-13] is smaller than eps=1e-08. Skip recording xc1=29.88255784078761 Normalized diffrence of parameters: 3.25716e-11 Warning: Normalized difference of parameters [3.257158657792289e-11] is smaller than eps=1e-08. Skip recording xc1=29.88255784078761 Normalized diffrence of parameters: 4.17271e-09 Warning: Normalized difference of parameters [4.172710650359961e-09] is smaller than eps=1e-08. Skip recording xc1=29.88255784078761 Normalized diffrence of parameters: 4.17258e-09 Warning: Normalized difference of parameters [4.1725835238636205e-09] is smaller than eps=1e-08. Skip recording xc1=29.88255785568877 Normalized diffrence of parameters: 2.62451e-11 Warning: Normalized difference of parameters [2.6245130883557598e-11] is smaller than eps=1e-08. Skip recording xc1=29.88255784078761 Normalized diffrence of parameters: 3.79566e-09 Warning: Normalized difference of parameters [3.795657620749286e-09] is smaller than eps=1e-08. Skip recording xc1=29.88255784078761 Normalized diffrence of parameters: 3.79557e-09 Warning: Normalized difference of parameters [3.79556688349357e-09] is smaller than eps=1e-08. Skip recording xc1=29.88255784078761 Normalized diffrence of parameters: 2.52622e-11 Warning: Normalized difference of parameters [2.5262189117869795e-11] is smaller than eps=1e-08. Skip recording xc1=29.88255784078761 Normalized diffrence of parameters: 3.26854e-09 Warning: Normalized difference of parameters [3.2685384349122205e-09] is smaller than eps=1e-08. Skip recording xc1=29.88255784078761 Normalized diffrence of parameters: 3.26844e-09 Warning: Normalized difference of parameters [3.268440809059793e-09] is smaller than eps=1e-08. Skip recording xc1=29.88255784078761 Normalized diffrence of parameters: 2.39688e-11 Warning: Normalized difference of parameters [2.3968789714898403e-11] is smaller than eps=1e-08. Skip recording xc1=29.88255784078761 Normalized diffrence of parameters: 3.99771e-09 Warning: Normalized difference of parameters [3.997708737504564e-09] is smaller than eps=1e-08. Skip recording xc1=29.88255784078761 Normalized diffrence of parameters: 4.07384e-09 Warning: Normalized difference of parameters [4.073841262102567e-09] is smaller than eps=1e-08. Skip recording **Warning: [xc6=180.00000001490116] is larger than [180]. Add penalty [ 2.22e-16] to fmin xc1=29.88255784078761 Normalized diffrence of parameters: 7.84272e-10 Warning: Normalized difference of parameters [7.842716249852788e-10] is smaller than eps=1e-08. Skip recording xc1=29.88255784078761 Normalized diffrence of parameters: 2.61143e-09 Warning: Normalized difference of parameters [2.611425681224765e-09] is smaller than eps=1e-08. Skip recording xc1=29.88255784078761 Normalized diffrence of parameters: 2.61143e-09 Warning: Normalized difference of parameters [2.6114256812256117e-09] is smaller than eps=1e-08. Skip recording xc1=29.88255784078761 Normalized diffrence of parameters: 2.10018e-11 Warning: Normalized difference of parameters [2.1001819183538946e-11] is smaller than eps=1e-08. Skip recording xc1=29.88255784078761 Normalized diffrence of parameters: 3.17503e-09 Warning: Normalized difference of parameters [3.175030620265859e-09] is smaller than eps=1e-08. Skip recording **Warning: [w2=-0.6097651493094705] is smaller than [0]. Add penalty [ 0.372] to fmin **Warning: [w5=-0.11079372436901752] is smaller than [0]. Add penalty [ 0.0123] to fmin **Warning: [w8=-0.01398059206613414] is smaller than [0]. Add penalty [ 0.000195] to fmin xc1=29.48581847481859 Normalized diffrence of parameters: 0.0917229 Warning: fmin=156628 is larger than fmax_record=2000. Skip recording **Warning: [w2=-0.6097651493094705] is smaller than [0]. Add penalty [ 0.372] to fmin **Warning: [w5=-0.11079372436901752] is smaller than [0]. Add penalty [ 0.0123] to fmin **Warning: [w8=-0.01398059206613414] is smaller than [0]. Add penalty [ 0.000195] to fmin xc1=29.48581847481859 Normalized diffrence of parameters: 6.95018e-13 Warning: Normalized difference of parameters [6.950184530864754e-13] is smaller than eps=1e-08. Skip recording **Warning: [w2=-0.6097651493094705] is smaller than [0]. Add penalty [ 0.372] to fmin **Warning: [w5=-0.11079372436901752] is smaller than [0]. Add penalty [ 0.0123] to fmin **Warning: [w8=-0.01398059206613414] is smaller than [0]. Add penalty [ 0.000195] to fmin xc1=29.48581847481859 Normalized diffrence of parameters: 6.95264e-13 Warning: Normalized difference of parameters [6.952643411293955e-13] is smaller than eps=1e-08. Skip recording **Warning: [w2=-0.6097651493094705] is smaller than [0]. Add penalty [ 0.372] to fmin **Warning: [w5=-0.11079372436901752] is smaller than [0]. Add penalty [ 0.0123] to fmin **Warning: [w8=-0.01398059206613414] is smaller than [0]. Add penalty [ 0.000195] to fmin xc1=29.48581847481859 Normalized diffrence of parameters: 3.86897e-11 Warning: Normalized difference of parameters [3.868966864687074e-11] is smaller than eps=1e-08. Skip recording **Warning: [w2=-0.6097651493094705] is smaller than [0]. Add penalty [ 0.372] to fmin **Warning: [w5=-0.11079372436901752] is smaller than [0]. Add penalty [ 0.0123] to fmin **Warning: [w8=-0.01398059206613414] is smaller than [0]. Add penalty [ 0.000195] to fmin xc1=29.48581847481859 Normalized diffrence of parameters: 5.29846e-09 Warning: Normalized difference of parameters [5.298459006084826e-09] is smaller than eps=1e-08. Skip recording **Warning: [w2=-0.6097651493094705] is smaller than [0]. Add penalty [ 0.372] to fmin **Warning: [w5=-0.11079372436901752] is smaller than [0]. Add penalty [ 0.0123] to fmin **Warning: [w8=-0.01398059206613414] is smaller than [0]. Add penalty [ 0.000195] to fmin xc1=29.48581847481859 Normalized diffrence of parameters: 5.29832e-09 Warning: Normalized difference of parameters [5.2983177470819865e-09] is smaller than eps=1e-08. Skip recording **Warning: [w2=-0.6097651493094705] is smaller than [0]. Add penalty [ 0.372] to fmin **Warning: [w5=-0.11079372436901752] is smaller than [0]. Add penalty [ 0.0123] to fmin **Warning: [w8=-0.01398059206613414] is smaller than [0]. Add penalty [ 0.000195] to fmin xc1=29.48581848971975 Normalized diffrence of parameters: 3.15854e-11 Warning: Normalized difference of parameters [3.15854408199643e-11] is smaller than eps=1e-08. Skip recording **Warning: [w2=-0.6097651344083093] is smaller than [0]. Add penalty [ 0.372] to fmin **Warning: [w5=-0.11079372436901752] is smaller than [0]. Add penalty [ 0.0123] to fmin **Warning: [w8=-0.01398059206613414] is smaller than [0]. Add penalty [ 0.000195] to fmin xc1=29.48581847481859 Normalized diffrence of parameters: 3.15854e-11 Warning: Normalized difference of parameters [3.1585440809119294e-11] is smaller than eps=1e-08. Skip recording **Warning: [w2=-0.6097651493094705] is smaller than [0]. Add penalty [ 0.372] to fmin **Warning: [w5=-0.11079372436901752] is smaller than [0]. Add penalty [ 0.0123] to fmin **Warning: [w8=-0.01398059206613414] is smaller than [0]. Add penalty [ 0.000195] to fmin xc1=29.48581847481859 Normalized diffrence of parameters: 4.68603e-15 Warning: Normalized difference of parameters [4.6860268428891635e-15] is smaller than eps=1e-08. Skip recording **Warning: [w2=-0.6097651493094705] is smaller than [0]. Add penalty [ 0.372] to fmin **Warning: [w5=-0.11079372436901752] is smaller than [0]. Add penalty [ 0.0123] to fmin **Warning: [w8=-0.01398059206613414] is smaller than [0]. Add penalty [ 0.000195] to fmin xc1=29.48581847481859 Normalized diffrence of parameters: 3.0127e-11 Warning: Normalized difference of parameters [3.012703918815204e-11] is smaller than eps=1e-08. Skip recording **Warning: [w2=-0.6097651493094705] is smaller than [0]. Add penalty [ 0.372] to fmin **Warning: [w5=-0.11079372436901752] is smaller than [0]. Add penalty [ 0.0123] to fmin **Warning: [w8=-0.01398059206613414] is smaller than [0]. Add penalty [ 0.000195] to fmin xc1=29.48581847481859 Normalized diffrence of parameters: 4.73797e-09 Warning: Normalized difference of parameters [4.737972515519118e-09] is smaller than eps=1e-08. Skip recording **Warning: [w2=-0.6097651493094705] is smaller than [0]. Add penalty [ 0.372] to fmin **Warning: [w5=-0.11079372436901752] is smaller than [0]. Add penalty [ 0.0123] to fmin **Warning: [w8=-0.01398059206613414] is smaller than [0]. Add penalty [ 0.000195] to fmin xc1=29.48581847481859 Normalized diffrence of parameters: 4.73788e-09 Warning: Normalized difference of parameters [4.737876731127968e-09] is smaller than eps=1e-08. Skip recording **Warning: [w2=-0.6097651493094705] is smaller than [0]. Add penalty [ 0.372] to fmin **Warning: [w5=-0.11079372436901752] is smaller than [0]. Add penalty [ 0.0123] to fmin **Warning: [w8=-0.01398059206613414] is smaller than [0]. Add penalty [ 0.000195] to fmin xc1=29.48581847481859 Normalized diffrence of parameters: 2.84651e-11 Warning: Normalized difference of parameters [2.8465065876165228e-11] is smaller than eps=1e-08. Skip recording **Warning: [w2=-0.6097651493094705] is smaller than [0]. Add penalty [ 0.372] to fmin **Warning: [w5=-0.11079370946785633] is smaller than [0]. Add penalty [ 0.0123] to fmin **Warning: [w8=-0.01398059206613414] is smaller than [0]. Add penalty [ 0.000195] to fmin xc1=29.48581847481859 Normalized diffrence of parameters: 2.84651e-11 Warning: Normalized difference of parameters [2.8465065567527126e-11] is smaller than eps=1e-08. Skip recording **Warning: [w2=-0.6097651493094705] is smaller than [0]. Add penalty [ 0.372] to fmin **Warning: [w5=-0.11079372436901752] is smaller than [0]. Add penalty [ 0.0123] to fmin **Warning: [w8=-0.01398059206613414] is smaller than [0]. Add penalty [ 0.000195] to fmin xc1=29.48581847481859 Normalized diffrence of parameters: 9.31323e-10 Warning: Normalized difference of parameters [9.313225546700186e-10] is smaller than eps=1e-08. Skip recording **Warning: [w2=-0.6097651493094705] is smaller than [0]. Add penalty [ 0.372] to fmin **Warning: [w5=-0.11079372436901752] is smaller than [0]. Add penalty [ 0.0123] to fmin **Warning: [xc6=180.00000001490116] is larger than [180]. Add penalty [ 2.22e-16] to fmin **Warning: [w8=-0.01398059206613414] is smaller than [0]. Add penalty [ 0.000195] to fmin xc1=29.48581847481859 Normalized diffrence of parameters: 9.31323e-10 Warning: Normalized difference of parameters [9.313225546700186e-10] is smaller than eps=1e-08. Skip recording **Warning: [w2=-0.6097651493094705] is smaller than [0]. Add penalty [ 0.372] to fmin **Warning: [w5=-0.11079372436901752] is smaller than [0]. Add penalty [ 0.0123] to fmin **Warning: [w8=-0.01398059206613414] is smaller than [0]. Add penalty [ 0.000195] to fmin xc1=29.48581847481859 Normalized diffrence of parameters: 3.11922e-09 Warning: Normalized difference of parameters [3.119215910878855e-09] is smaller than eps=1e-08. Skip recording **Warning: [w2=-0.6097651493094705] is smaller than [0]. Add penalty [ 0.372] to fmin **Warning: [w5=-0.11079372436901752] is smaller than [0]. Add penalty [ 0.0123] to fmin **Warning: [w8=-0.01398059206613414] is smaller than [0]. Add penalty [ 0.000195] to fmin xc1=29.48581847481859 Normalized diffrence of parameters: 3.11922e-09 Warning: Normalized difference of parameters [3.119215910879854e-09] is smaller than eps=1e-08. Skip recording **Warning: [w2=-0.6097651493094705] is smaller than [0]. Add penalty [ 0.372] to fmin **Warning: [w5=-0.11079372436901752] is smaller than [0]. Add penalty [ 0.0123] to fmin **Warning: [w8=-0.01398059206613414] is smaller than [0]. Add penalty [ 0.000195] to fmin xc1=29.48581847481859 Normalized diffrence of parameters: 2.50198e-11 Warning: Normalized difference of parameters [2.501980283387577e-11] is smaller than eps=1e-08. Skip recording **Warning: [w2=-0.6097651493094705] is smaller than [0]. Add penalty [ 0.372] to fmin **Warning: [w5=-0.11079372436901752] is smaller than [0]. Add penalty [ 0.0123] to fmin **Warning: [w8=-0.013980577164972946] is smaller than [0]. Add penalty [ 0.000195] to fmin xc1=29.48581847481859 Normalized diffrence of parameters: 2.50198e-11 Warning: Normalized difference of parameters [2.501980270933027e-11] is smaller than eps=1e-08. Skip recording xc1=29.882557285385655 Normalized diffrence of parameters: 0.0917229 Warning: fmin=7773.37 is larger than fmax_record=2000. Skip recording xc1=29.882557285385655 Normalized diffrence of parameters: 5.85279e-13 Warning: Normalized difference of parameters [5.852787845568571e-13] is smaller than eps=1e-08. Skip recording xc1=29.882557285385655 Normalized diffrence of parameters: 5.85486e-13 Warning: Normalized difference of parameters [5.854858481411011e-13] is smaller than eps=1e-08. Skip recording xc1=29.882557285385655 Normalized diffrence of parameters: 3.25716e-11 Warning: Normalized difference of parameters [3.257158659078032e-11] is smaller than eps=1e-08. Skip recording xc1=29.882557285385655 Normalized diffrence of parameters: 4.17271e-09 Warning: Normalized difference of parameters [4.172711028911055e-09] is smaller than eps=1e-08. Skip recording xc1=29.882557285385655 Normalized diffrence of parameters: 4.17258e-09 Warning: Normalized difference of parameters [4.172583902426148e-09] is smaller than eps=1e-08. Skip recording xc1=29.882557300286816 Normalized diffrence of parameters: 2.62451e-11 Warning: Normalized difference of parameters [2.6245131371353767e-11] is smaller than eps=1e-08. Skip recording xc1=29.882557285385655 Normalized diffrence of parameters: 3.79568e-09 Warning: Normalized difference of parameters [3.795678614039197e-09] is smaller than eps=1e-08. Skip recording xc1=29.882557285385655 Normalized diffrence of parameters: 3.79559e-09 Warning: Normalized difference of parameters [3.795587877281974e-09] is smaller than eps=1e-08. Skip recording xc1=29.882557285385655 Normalized diffrence of parameters: 2.52622e-11 Warning: Normalized difference of parameters [2.5262189268346573e-11] is smaller than eps=1e-08. Skip recording xc1=29.882557285385655 Normalized diffrence of parameters: 3.26854e-09 Warning: Normalized difference of parameters [3.2685392621425574e-09] is smaller than eps=1e-08. Skip recording xc1=29.882557285385655 Normalized diffrence of parameters: 3.26844e-09 Warning: Normalized difference of parameters [3.268441636313675e-09] is smaller than eps=1e-08. Skip recording xc1=29.882557285385655 Normalized diffrence of parameters: 2.39688e-11 Warning: Normalized difference of parameters [2.3968789717406977e-11] is smaller than eps=1e-08. Skip recording xc1=29.882557285385655 Normalized diffrence of parameters: 3.99772e-09 Warning: Normalized difference of parameters [3.997717494235488e-09] is smaller than eps=1e-08. Skip recording xc1=29.882557285385655 Normalized diffrence of parameters: 4.07385e-09 Warning: Normalized difference of parameters [4.073849855186794e-09] is smaller than eps=1e-08. Skip recording **Warning: [xc6=180.00000001490116] is larger than [180]. Add penalty [ 2.22e-16] to fmin xc1=29.882557285385655 Normalized diffrence of parameters: 7.84272e-10 Warning: Normalized difference of parameters [7.842716249852788e-10] is smaller than eps=1e-08. Skip recording xc1=29.882557285385655 Normalized diffrence of parameters: 2.61143e-09 Warning: Normalized difference of parameters [2.6114257024944506e-09] is smaller than eps=1e-08. Skip recording xc1=29.882557285385655 Normalized diffrence of parameters: 2.61143e-09 Warning: Normalized difference of parameters [2.6114257024952973e-09] is smaller than eps=1e-08. Skip recording xc1=29.882557285385655 Normalized diffrence of parameters: 2.10018e-11 Warning: Normalized difference of parameters [2.100181927771453e-11] is smaller than eps=1e-08. Skip recording xc1=29.882557285385655 Normalized diffrence of parameters: 3.17504e-09 Warning: Normalized difference of parameters [3.175035316408615e-09] is smaller than eps=1e-08. Skip recording xc1=29.88255782238802 Normalized diffrence of parameters: 3.11505e-07 Warning: fmin=7773.37 is larger than fmax_record=2000. Skip recording xc1=29.88255782238802 Normalized diffrence of parameters: 5.85279e-13 Warning: Normalized difference of parameters [5.85278784556975e-13] is smaller than eps=1e-08. Skip recording xc1=29.88255782238802 Normalized diffrence of parameters: 5.85486e-13 Warning: Normalized difference of parameters [5.854858481412189e-13] is smaller than eps=1e-08. Skip recording xc1=29.88255782238802 Normalized diffrence of parameters: 3.25716e-11 Warning: Normalized difference of parameters [3.257158657834884e-11] is smaller than eps=1e-08. Skip recording xc1=29.88255782238802 Normalized diffrence of parameters: 4.17271e-09 Warning: Normalized difference of parameters [4.1727106629007584e-09] is smaller than eps=1e-08. Skip recording xc1=29.88255782238802 Normalized diffrence of parameters: 4.17258e-09 Warning: Normalized difference of parameters [4.172583536404797e-09] is smaller than eps=1e-08. Skip recording xc1=29.88255783728918 Normalized diffrence of parameters: 2.62451e-11 Warning: Normalized difference of parameters [2.6245130899717518e-11] is smaller than eps=1e-08. Skip recording xc1=29.88255782238802 Normalized diffrence of parameters: 3.79566e-09 Warning: Normalized difference of parameters [3.79565831622006e-09] is smaller than eps=1e-08. Skip recording xc1=29.88255782238802 Normalized diffrence of parameters: 3.79557e-09 Warning: Normalized difference of parameters [3.7955675789808576e-09] is smaller than eps=1e-08. Skip recording xc1=29.88255782238802 Normalized diffrence of parameters: 2.52622e-11 Warning: Normalized difference of parameters [2.5262189122854854e-11] is smaller than eps=1e-08. Skip recording xc1=29.88255782238802 Normalized diffrence of parameters: 3.26854e-09 Warning: Normalized difference of parameters [3.2685384623170464e-09] is smaller than eps=1e-08. Skip recording xc1=29.88255782238802 Normalized diffrence of parameters: 3.26844e-09 Warning: Normalized difference of parameters [3.2684408364653993e-09] is smaller than eps=1e-08. Skip recording xc1=29.88255782238802 Normalized diffrence of parameters: 2.39688e-11 Warning: Normalized difference of parameters [2.3968789714981512e-11] is smaller than eps=1e-08. Skip recording xc1=29.88255782238802 Normalized diffrence of parameters: 3.99771e-09 Warning: Normalized difference of parameters [3.9977090276005946e-09] is smaller than eps=1e-08. Skip recording xc1=29.88255782238802 Normalized diffrence of parameters: 4.07384e-09 Warning: Normalized difference of parameters [4.073841546777243e-09] is smaller than eps=1e-08. Skip recording **Warning: [xc6=180.00000001490116] is larger than [180]. Add penalty [ 2.22e-16] to fmin xc1=29.88255782238802 Normalized diffrence of parameters: 7.84272e-10 Warning: Normalized difference of parameters [7.842716249852788e-10] is smaller than eps=1e-08. Skip recording xc1=29.88255782238802 Normalized diffrence of parameters: 2.61143e-09 Warning: Normalized difference of parameters [2.6114256819293964e-09] is smaller than eps=1e-08. Skip recording xc1=29.88255782238802 Normalized diffrence of parameters: 2.61143e-09 Warning: Normalized difference of parameters [2.6114256819302426e-09] is smaller than eps=1e-08. Skip recording xc1=29.88255782238802 Normalized diffrence of parameters: 2.10018e-11 Warning: Normalized difference of parameters [2.1001819186658835e-11] is smaller than eps=1e-08. Skip recording xc1=29.88255782238802 Normalized diffrence of parameters: 3.17503e-09 Warning: Normalized difference of parameters [3.1750307758414195e-09] is smaller than eps=1e-08. Skip recording tkFit_mxy_flex._callback(): iter: 0 icall: 81 bg_c0 : 1340 I01 : 5.037e+04 xc1 : 24.08 w1 : 0.188 I02 : 1.125e+06 xc2 : 29.88 w2 : 0.2066 I04 : 1.987e+05 xc4 : 31.05 w4 : 0.24 I05 : 2.222e+05 xc5 : 32.72 w5 : 0.1962 I06 : -6.14e+08 xc6 : 180 w6 : 0.3003 I08 : 3.731e+05 xc8 : 37.34 w8 : 0.247 xc1=29.88255782238802 Normalized diffrence of parameters: 3.17496e-09 Warning: Normalized difference of parameters [3.1749613149037635e-09] is smaller than eps=1e-08. Skip recording tkFit_mxy_flex._callback(): f= 7773.37 xdiff= 0 Save configuration parameters to [D:\git\tkProg\tkprog_COE\optimize\optimize_peakfit\test\xrd.in] Save fitting parameters to [D:\git\tkProg\tkprog_COE\optimize\optimize_peakfit\test\xrd_parameters.csv] (save_parameters) xc1=29.882557822761374 Normalized diffrence of parameters: 1.49053e-08 Warning: fmin=7773.37 is larger than fmax_record=2000. Skip recording xc1=29.882557822761374 Normalized diffrence of parameters: 5.85279e-13 Warning: Normalized difference of parameters [5.852787845569607e-13] is smaller than eps=1e-08. Skip recording xc1=29.882557822761374 Normalized diffrence of parameters: 5.85486e-13 Warning: Normalized difference of parameters [5.854858481412046e-13] is smaller than eps=1e-08. Skip recording xc1=29.882557822761374 Normalized diffrence of parameters: 3.25716e-11 Warning: Normalized difference of parameters [3.257158657986637e-11] is smaller than eps=1e-08. Skip recording xc1=29.882557822761374 Normalized diffrence of parameters: 4.17271e-09 Warning: Normalized difference of parameters [4.172710704856043e-09] is smaller than eps=1e-08. Skip recording xc1=29.882557822761374 Normalized diffrence of parameters: 4.17258e-09 Warning: Normalized difference of parameters [4.172583578361348e-09] is smaller than eps=1e-08. Skip recording xc1=29.882557837662535 Normalized diffrence of parameters: 2.62451e-11 Warning: Normalized difference of parameters [2.6245130899389606e-11] is smaller than eps=1e-08. Skip recording xc1=29.882557822761374 Normalized diffrence of parameters: 3.79566e-09 Warning: Normalized difference of parameters [3.795658277909825e-09] is smaller than eps=1e-08. Skip recording xc1=29.882557822761374 Normalized diffrence of parameters: 3.79557e-09 Warning: Normalized difference of parameters [3.7955675406697096e-09] is smaller than eps=1e-08. Skip recording xc1=29.882557822761374 Normalized diffrence of parameters: 2.52622e-11 Warning: Normalized difference of parameters [2.526218914247722e-11] is smaller than eps=1e-08. Skip recording xc1=29.882557822761374 Normalized diffrence of parameters: 3.26854e-09 Warning: Normalized difference of parameters [3.2685384100138012e-09] is smaller than eps=1e-08. Skip recording xc1=29.882557822761374 Normalized diffrence of parameters: 3.26844e-09 Warning: Normalized difference of parameters [3.26844078416044e-09] is smaller than eps=1e-08. Skip recording xc1=29.882557822761374 Normalized diffrence of parameters: 2.39688e-11 Warning: Normalized difference of parameters [2.396878971543094e-11] is smaller than eps=1e-08. Skip recording xc1=29.882557822761374 Normalized diffrence of parameters: 3.99771e-09 Warning: Normalized difference of parameters [3.997709966555264e-09] is smaller than eps=1e-08. Skip recording xc1=29.882557822761374 Normalized diffrence of parameters: 4.07384e-09 Warning: Normalized difference of parameters [4.073842468184597e-09] is smaller than eps=1e-08. Skip recording **Warning: [xc6=180.00000001490116] is larger than [180]. Add penalty [ 2.22e-16] to fmin xc1=29.882557822761374 Normalized diffrence of parameters: 7.84272e-10 Warning: Normalized difference of parameters [7.842716249852788e-10] is smaller than eps=1e-08. Skip recording xc1=29.882557822761374 Normalized diffrence of parameters: 2.61143e-09 Warning: Normalized difference of parameters [2.611425701512448e-09] is smaller than eps=1e-08. Skip recording xc1=29.882557822761374 Normalized diffrence of parameters: 2.61143e-09 Warning: Normalized difference of parameters [2.611425701513294e-09] is smaller than eps=1e-08. Skip recording xc1=29.882557822761374 Normalized diffrence of parameters: 2.10018e-11 Warning: Normalized difference of parameters [2.1001819196970317e-11] is smaller than eps=1e-08. Skip recording xc1=29.882557822761374 Normalized diffrence of parameters: 3.17503e-09 Warning: Normalized difference of parameters [3.1750312729629142e-09] is smaller than eps=1e-08. Skip recording tkFit_mxy_flex._callback(): iter: 1 icall: 102 bg_c0 : 1340 I01 : 5.037e+04 xc1 : 24.08 w1 : 0.188 I02 : 1.125e+06 xc2 : 29.88 w2 : 0.2066 I04 : 1.987e+05 xc4 : 31.05 w4 : 0.24 I05 : 2.222e+05 xc5 : 32.72 w5 : 0.1962 I06 : -6.14e+08 xc6 : 180 w6 : 0.3003 I08 : 3.731e+05 xc8 : 37.34 w8 : 0.247 xc1=29.882557822761374 Normalized diffrence of parameters: 3.17496e-09 Warning: Normalized difference of parameters [3.174961812036066e-09] is smaller than eps=1e-08. Skip recording tkFit_mxy_flex._callback(): f= 7773.37 xdiff= 1.49053e-08 Save configuration parameters to [D:\git\tkProg\tkprog_COE\optimize\optimize_peakfit\test\xrd.in] Save fitting parameters to [D:\git\tkProg\tkprog_COE\optimize\optimize_peakfit\test\xrd_parameters.csv] (save_parameters) xc1=29.88255787099286 Normalized diffrence of parameters: 6.1668e-08 Warning: fmin=7773.37 is larger than fmax_record=2000. Skip recording xc1=29.88255787099286 Normalized diffrence of parameters: 5.85279e-13 Warning: Normalized difference of parameters [5.852787845560927e-13] is smaller than eps=1e-08. Skip recording xc1=29.88255787099286 Normalized diffrence of parameters: 5.85486e-13 Warning: Normalized difference of parameters [5.854858481403369e-13] is smaller than eps=1e-08. Skip recording xc1=29.88255787099286 Normalized diffrence of parameters: 3.25716e-11 Warning: Normalized difference of parameters [3.257158659641212e-11] is smaller than eps=1e-08. Skip recording xc1=29.88255787099286 Normalized diffrence of parameters: 4.17271e-09 Warning: Normalized difference of parameters [4.172711183618443e-09] is smaller than eps=1e-08. Skip recording xc1=29.88255787099286 Normalized diffrence of parameters: 4.17258e-09 Warning: Normalized difference of parameters [4.172584057138206e-09] is smaller than eps=1e-08. Skip recording xc1=29.88255788589402 Normalized diffrence of parameters: 2.62451e-11 Warning: Normalized difference of parameters [2.624513085702906e-11] is smaller than eps=1e-08. Skip recording xc1=29.88255787099286 Normalized diffrence of parameters: 3.79566e-09 Warning: Normalized difference of parameters [3.795658864391524e-09] is smaller than eps=1e-08. Skip recording xc1=29.88255787099286 Normalized diffrence of parameters: 3.79557e-09 Warning: Normalized difference of parameters [3.795568127165722e-09] is smaller than eps=1e-08. Skip recording xc1=29.88255787099286 Normalized diffrence of parameters: 2.52622e-11 Warning: Normalized difference of parameters [2.5262189259745946e-11] is smaller than eps=1e-08. Skip recording xc1=29.88255787099286 Normalized diffrence of parameters: 3.26854e-09 Warning: Normalized difference of parameters [3.2685370960229713e-09] is smaller than eps=1e-08. Skip recording xc1=29.88255787099286 Normalized diffrence of parameters: 3.26844e-09 Warning: Normalized difference of parameters [3.268439470129456e-09] is smaller than eps=1e-08. Skip recording xc1=29.88255787099286 Normalized diffrence of parameters: 2.39688e-11 Warning: Normalized difference of parameters [2.396878971909123e-11] is smaller than eps=1e-08. Skip recording xc1=29.88255787099286 Normalized diffrence of parameters: 3.99771e-09 Warning: Normalized difference of parameters [3.997713774691949e-09] is smaller than eps=1e-08. Skip recording xc1=29.88255787099286 Normalized diffrence of parameters: 4.07385e-09 Warning: Normalized difference of parameters [4.07384620515437e-09] is smaller than eps=1e-08. Skip recording **Warning: [xc6=180.00000001490116] is larger than [180]. Add penalty [ 2.22e-16] to fmin xc1=29.88255787099286 Normalized diffrence of parameters: 7.84272e-10 Warning: Normalized difference of parameters [7.842716249852788e-10] is smaller than eps=1e-08. Skip recording xc1=29.88255787099286 Normalized diffrence of parameters: 2.61143e-09 Warning: Normalized difference of parameters [2.61142627091927e-09] is smaller than eps=1e-08. Skip recording xc1=29.88255787099286 Normalized diffrence of parameters: 2.61143e-09 Warning: Normalized difference of parameters [2.611426270920116e-09] is smaller than eps=1e-08. Skip recording xc1=29.88255787099286 Normalized diffrence of parameters: 2.10018e-11 Warning: Normalized difference of parameters [2.1001819185821024e-11] is smaller than eps=1e-08. Skip recording xc1=29.88255787099286 Normalized diffrence of parameters: 3.17503e-09 Warning: Normalized difference of parameters [3.175029786690007e-09] is smaller than eps=1e-08. Skip recording xc1=29.882557838073968 Normalized diffrence of parameters: 4.34557e-08 Warning: fmin=7773.37 is larger than fmax_record=2000. Skip recording xc1=29.882557838073968 Normalized diffrence of parameters: 5.85279e-13 Warning: Normalized difference of parameters [5.852787845566851e-13] is smaller than eps=1e-08. Skip recording xc1=29.882557838073968 Normalized diffrence of parameters: 5.85486e-13 Warning: Normalized difference of parameters [5.85485848140929e-13] is smaller than eps=1e-08. Skip recording xc1=29.882557838073968 Normalized diffrence of parameters: 3.25716e-11 Warning: Normalized difference of parameters [3.257158658511933e-11] is smaller than eps=1e-08. Skip recording xc1=29.882557838073968 Normalized diffrence of parameters: 4.17271e-09 Warning: Normalized difference of parameters [4.172710856854144e-09] is smaller than eps=1e-08. Skip recording xc1=29.882557838073968 Normalized diffrence of parameters: 4.17258e-09 Warning: Normalized difference of parameters [4.172583730364039e-09] is smaller than eps=1e-08. Skip recording xc1=29.88255785297513 Normalized diffrence of parameters: 2.62451e-11 Warning: Normalized difference of parameters [2.6245130885940928e-11] is smaller than eps=1e-08. Skip recording xc1=29.882557838073968 Normalized diffrence of parameters: 3.79566e-09 Warning: Normalized difference of parameters [3.795658464106782e-09] is smaller than eps=1e-08. Skip recording xc1=29.882557838073968 Normalized diffrence of parameters: 3.79557e-09 Warning: Normalized difference of parameters [3.795567726871212e-09] is smaller than eps=1e-08. Skip recording xc1=29.882557838073968 Normalized diffrence of parameters: 2.52622e-11 Warning: Normalized difference of parameters [2.5262189179707847e-11] is smaller than eps=1e-08. Skip recording xc1=29.882557838073968 Normalized diffrence of parameters: 3.26854e-09 Warning: Normalized difference of parameters [3.268537992846158e-09] is smaller than eps=1e-08. Skip recording xc1=29.882557838073968 Normalized diffrence of parameters: 3.26844e-09 Warning: Normalized difference of parameters [3.2684403669800485e-09] is smaller than eps=1e-08. Skip recording xc1=29.882557838073968 Normalized diffrence of parameters: 2.39688e-11 Warning: Normalized difference of parameters [2.3968789716593015e-11] is smaller than eps=1e-08. Skip recording xc1=29.882557838073968 Normalized diffrence of parameters: 3.99771e-09 Warning: Normalized difference of parameters [3.997711175566697e-09] is smaller than eps=1e-08. Skip recording xc1=29.882557838073968 Normalized diffrence of parameters: 4.07384e-09 Warning: Normalized difference of parameters [4.073843654601867e-09] is smaller than eps=1e-08. Skip recording **Warning: [xc6=180.00000001490116] is larger than [180]. Add penalty [ 2.22e-16] to fmin xc1=29.882557838073968 Normalized diffrence of parameters: 7.84272e-10 Warning: Normalized difference of parameters [7.842716249852788e-10] is smaller than eps=1e-08. Skip recording xc1=29.882557838073968 Normalized diffrence of parameters: 2.61143e-09 Warning: Normalized difference of parameters [2.6114258822884446e-09] is smaller than eps=1e-08. Skip recording xc1=29.882557838073968 Normalized diffrence of parameters: 2.61143e-09 Warning: Normalized difference of parameters [2.6114258822892908e-09] is smaller than eps=1e-08. Skip recording xc1=29.882557838073968 Normalized diffrence of parameters: 2.10018e-11 Warning: Normalized difference of parameters [2.1001819193430624e-11] is smaller than eps=1e-08. Skip recording xc1=29.882557838073968 Normalized diffrence of parameters: 3.17503e-09 Warning: Normalized difference of parameters [3.175030801098895e-09] is smaller than eps=1e-08. Skip recording tkFit_mxy_flex._callback(): iter: 2 icall: 143 bg_c0 : 1340 I01 : 5.037e+04 xc1 : 24.08 w1 : 0.188 I02 : 1.125e+06 xc2 : 29.88 w2 : 0.2066 I04 : 1.987e+05 xc4 : 31.05 w4 : 0.24 I05 : 2.222e+05 xc5 : 32.72 w5 : 0.1962 I06 : -6.14e+08 xc6 : 180 w6 : 0.3003 I08 : 3.731e+05 xc8 : 37.34 w8 : 0.247 xc1=29.882557838073968 Normalized diffrence of parameters: 3.17496e-09 Warning: Normalized difference of parameters [3.174961340161747e-09] is smaller than eps=1e-08. Skip recording tkFit_mxy_flex._callback(): f= 7773.37 xdiff= 1.95785e-08 Save configuration parameters to [D:\git\tkProg\tkprog_COE\optimize\optimize_peakfit\test\xrd.in] Save fitting parameters to [D:\git\tkProg\tkprog_COE\optimize\optimize_peakfit\test\xrd_parameters.csv] (save_parameters) xc1=29.882557819013375 Normalized diffrence of parameters: 2.26137e-08 Warning: fmin=7773.37 is larger than fmax_record=2000. Skip recording xc1=29.882557819013375 Normalized diffrence of parameters: 5.85279e-13 Warning: Normalized difference of parameters [5.852787845563336e-13] is smaller than eps=1e-08. Skip recording xc1=29.882557819013375 Normalized diffrence of parameters: 5.85486e-13 Warning: Normalized difference of parameters [5.854858481405777e-13] is smaller than eps=1e-08. Skip recording xc1=29.882557819013375 Normalized diffrence of parameters: 3.25716e-11 Warning: Normalized difference of parameters [3.257158659172135e-11] is smaller than eps=1e-08. Skip recording xc1=29.882557819013375 Normalized diffrence of parameters: 4.17271e-09 Warning: Normalized difference of parameters [4.1727110484742506e-09] is smaller than eps=1e-08. Skip recording xc1=29.882557819013375 Normalized diffrence of parameters: 4.17258e-09 Warning: Normalized difference of parameters [4.1725839219899324e-09] is smaller than eps=1e-08. Skip recording xc1=29.882557833914536 Normalized diffrence of parameters: 2.62451e-11 Warning: Normalized difference of parameters [2.6245130902681384e-11] is smaller than eps=1e-08. Skip recording xc1=29.882557819013375 Normalized diffrence of parameters: 3.79566e-09 Warning: Normalized difference of parameters [3.7956583644309185e-09] is smaller than eps=1e-08. Skip recording xc1=29.882557819013375 Normalized diffrence of parameters: 3.79557e-09 Warning: Normalized difference of parameters [3.79556762719285e-09] is smaller than eps=1e-08. Skip recording xc1=29.882557819013375 Normalized diffrence of parameters: 2.52622e-11 Warning: Normalized difference of parameters [2.526218922341146e-11] is smaller than eps=1e-08. Skip recording xc1=29.882557819013375 Normalized diffrence of parameters: 3.26854e-09 Warning: Normalized difference of parameters [3.2685374542668875e-09] is smaller than eps=1e-08. Skip recording xc1=29.882557819013375 Normalized diffrence of parameters: 3.26844e-09 Warning: Normalized difference of parameters [3.268439828384353e-09] is smaller than eps=1e-08. Skip recording xc1=29.882557819013375 Normalized diffrence of parameters: 2.39688e-11 Warning: Normalized difference of parameters [2.3968789717939717e-11] is smaller than eps=1e-08. Skip recording xc1=29.882557819013375 Normalized diffrence of parameters: 3.99771e-09 Warning: Normalized difference of parameters [3.997712527484614e-09] is smaller than eps=1e-08. Skip recording xc1=29.882557819013375 Normalized diffrence of parameters: 4.07384e-09 Warning: Normalized difference of parameters [4.0738449812549806e-09] is smaller than eps=1e-08. Skip recording **Warning: [xc6=180.00000001490116] is larger than [180]. Add penalty [ 2.22e-16] to fmin xc1=29.882557819013375 Normalized diffrence of parameters: 7.84272e-10 Warning: Normalized difference of parameters [7.842716249852788e-10] is smaller than eps=1e-08. Skip recording xc1=29.882557819013375 Normalized diffrence of parameters: 2.61143e-09 Warning: Normalized difference of parameters [2.6114261151141825e-09] is smaller than eps=1e-08. Skip recording xc1=29.882557819013375 Normalized diffrence of parameters: 2.61143e-09 Warning: Normalized difference of parameters [2.6114261151150287e-09] is smaller than eps=1e-08. Skip recording xc1=29.882557819013375 Normalized diffrence of parameters: 2.10018e-11 Warning: Normalized difference of parameters [2.1001819188049617e-11] is smaller than eps=1e-08. Skip recording xc1=29.882557819013375 Normalized diffrence of parameters: 3.17503e-09 Warning: Normalized difference of parameters [3.1750302302111957e-09] is smaller than eps=1e-08. Skip recording tkFit_mxy_flex._callback(): iter: 3 icall: 164 bg_c0 : 1340 I01 : 5.037e+04 xc1 : 24.08 w1 : 0.188 I02 : 1.125e+06 xc2 : 29.88 w2 : 0.2066 I04 : 1.987e+05 xc4 : 31.05 w4 : 0.24 I05 : 2.222e+05 xc5 : 32.72 w5 : 0.1962 I06 : -6.14e+08 xc6 : 180 w6 : 0.3003 I08 : 3.731e+05 xc8 : 37.34 w8 : 0.247 xc1=29.882557819013375 Normalized diffrence of parameters: 3.17496e-09 Warning: Normalized difference of parameters [3.1749607692615935e-09] is smaller than eps=1e-08. Skip recording tkFit_mxy_flex._callback(): f= 7773.37 xdiff= 2.26137e-08 Save configuration parameters to [D:\git\tkProg\tkprog_COE\optimize\optimize_peakfit\test\xrd.in] Save fitting parameters to [D:\git\tkProg\tkprog_COE\optimize\optimize_peakfit\test\xrd_parameters.csv] (save_parameters) xc1=29.8825578177206 Normalized diffrence of parameters: 1.87381e-08 Warning: fmin=7773.37 is larger than fmax_record=2000. Skip recording xc1=29.8825578177206 Normalized diffrence of parameters: 5.85279e-13 Warning: Normalized difference of parameters [5.852787845556511e-13] is smaller than eps=1e-08. Skip recording xc1=29.8825578177206 Normalized diffrence of parameters: 5.85486e-13 Warning: Normalized difference of parameters [5.854858481398955e-13] is smaller than eps=1e-08. Skip recording xc1=29.8825578177206 Normalized diffrence of parameters: 3.25716e-11 Warning: Normalized difference of parameters [3.2571586603107506e-11] is smaller than eps=1e-08. Skip recording xc1=29.8825578177206 Normalized diffrence of parameters: 4.17271e-09 Warning: Normalized difference of parameters [4.17271139235717e-09] is smaller than eps=1e-08. Skip recording xc1=29.8825578177206 Normalized diffrence of parameters: 4.17258e-09 Warning: Normalized difference of parameters [4.17258426588324e-09] is smaller than eps=1e-08. Skip recording xc1=29.88255783262176 Normalized diffrence of parameters: 2.62451e-11 Warning: Normalized difference of parameters [2.6245130903816796e-11] is smaller than eps=1e-08. Skip recording xc1=29.8825578177206 Normalized diffrence of parameters: 3.79566e-09 Warning: Normalized difference of parameters [3.795658476885969e-09] is smaller than eps=1e-08. Skip recording xc1=29.8825578177206 Normalized diffrence of parameters: 3.79557e-09 Warning: Normalized difference of parameters [3.79556773965058e-09] is smaller than eps=1e-08. Skip recording xc1=29.8825578177206 Normalized diffrence of parameters: 2.52622e-11 Warning: Normalized difference of parameters [2.5262189248355708e-11] is smaller than eps=1e-08. Skip recording xc1=29.8825578177206 Normalized diffrence of parameters: 3.26854e-09 Warning: Normalized difference of parameters [3.2685364954232577e-09] is smaller than eps=1e-08. Skip recording xc1=29.8825578177206 Normalized diffrence of parameters: 3.26844e-09 Warning: Normalized difference of parameters [3.26843886951189e-09] is smaller than eps=1e-08. Skip recording xc1=29.8825578177206 Normalized diffrence of parameters: 2.39688e-11 Warning: Normalized difference of parameters [2.3968789717745814e-11] is smaller than eps=1e-08. Skip recording xc1=29.8825578177206 Normalized diffrence of parameters: 3.99771e-09 Warning: Normalized difference of parameters [3.997712434384449e-09] is smaller than eps=1e-08. Skip recording xc1=29.8825578177206 Normalized diffrence of parameters: 4.07384e-09 Warning: Normalized difference of parameters [4.073844889894682e-09] is smaller than eps=1e-08. Skip recording **Warning: [xc6=180.00000001490116] is larger than [180]. Add penalty [ 2.22e-16] to fmin xc1=29.8825578177206 Normalized diffrence of parameters: 7.84272e-10 Warning: Normalized difference of parameters [7.842716249852788e-10] is smaller than eps=1e-08. Skip recording xc1=29.8825578177206 Normalized diffrence of parameters: 2.61143e-09 Warning: Normalized difference of parameters [2.611426553079831e-09] is smaller than eps=1e-08. Skip recording xc1=29.8825578177206 Normalized diffrence of parameters: 2.61143e-09 Warning: Normalized difference of parameters [2.6114265530806767e-09] is smaller than eps=1e-08. Skip recording xc1=29.8825578177206 Normalized diffrence of parameters: 2.10018e-11 Warning: Normalized difference of parameters [2.1001819175056884e-11] is smaller than eps=1e-08. Skip recording xc1=29.8825578177206 Normalized diffrence of parameters: 3.17503e-09 Warning: Normalized difference of parameters [3.175030439457082e-09] is smaller than eps=1e-08. Skip recording tkFit_mxy_flex._callback(): iter: 4 icall: 185 bg_c0 : 1340 I01 : 5.037e+04 xc1 : 24.08 w1 : 0.188 I02 : 1.125e+06 xc2 : 29.88 w2 : 0.2066 I04 : 1.987e+05 xc4 : 31.05 w4 : 0.24 I05 : 2.222e+05 xc5 : 32.72 w5 : 0.1962 I06 : -6.14e+08 xc6 : 180 w6 : 0.3003 I08 : 3.731e+05 xc8 : 37.34 w8 : 0.247 xc1=29.8825578177206 Normalized diffrence of parameters: 3.17496e-09 Warning: Normalized difference of parameters [3.174960978512144e-09] is smaller than eps=1e-08. Skip recording tkFit_mxy_flex._callback(): f= 7773.37 xdiff= 1.87381e-08 Save configuration parameters to [D:\git\tkProg\tkprog_COE\optimize\optimize_peakfit\test\xrd.in] Save fitting parameters to [D:\git\tkProg\tkprog_COE\optimize\optimize_peakfit\test\xrd_parameters.csv] (save_parameters) xc1=29.882557816339034 Normalized diffrence of parameters: 2.35126e-08 Warning: fmin=7773.37 is larger than fmax_record=2000. Skip recording xc1=29.882557816339034 Normalized diffrence of parameters: 5.85279e-13 Warning: Normalized difference of parameters [5.852787845544924e-13] is smaller than eps=1e-08. Skip recording xc1=29.882557816339034 Normalized diffrence of parameters: 5.85486e-13 Warning: Normalized difference of parameters [5.854858481387373e-13] is smaller than eps=1e-08. Skip recording xc1=29.882557816339034 Normalized diffrence of parameters: 3.25716e-11 Warning: Normalized difference of parameters [3.257158662270575e-11] is smaller than eps=1e-08. Skip recording xc1=29.882557816339034 Normalized diffrence of parameters: 4.17271e-09 Warning: Normalized difference of parameters [4.172712015467401e-09] is smaller than eps=1e-08. Skip recording xc1=29.882557816339034 Normalized diffrence of parameters: 4.17258e-09 Warning: Normalized difference of parameters [4.1725848890123014e-09] is smaller than eps=1e-08. Skip recording xc1=29.882557831240195 Normalized diffrence of parameters: 2.62451e-11 Warning: Normalized difference of parameters [2.6245130905030195e-11] is smaller than eps=1e-08. Skip recording xc1=29.882557816339034 Normalized diffrence of parameters: 3.79566e-09 Warning: Normalized difference of parameters [3.795658596338858e-09] is smaller than eps=1e-08. Skip recording xc1=29.882557816339034 Normalized diffrence of parameters: 3.79557e-09 Warning: Normalized difference of parameters [3.7955678591063165e-09] is smaller than eps=1e-08. Skip recording xc1=29.882557816339034 Normalized diffrence of parameters: 2.52622e-11 Warning: Normalized difference of parameters [2.5262189261233805e-11] is smaller than eps=1e-08. Skip recording xc1=29.882557816339034 Normalized diffrence of parameters: 3.26854e-09 Warning: Normalized difference of parameters [3.2685355343715434e-09] is smaller than eps=1e-08. Skip recording xc1=29.882557816339034 Normalized diffrence of parameters: 3.26844e-09 Warning: Normalized difference of parameters [3.2684379084313706e-09] is smaller than eps=1e-08. Skip recording xc1=29.882557816339034 Normalized diffrence of parameters: 2.39688e-11 Warning: Normalized difference of parameters [2.396878971545559e-11] is smaller than eps=1e-08. Skip recording xc1=29.882557816339034 Normalized diffrence of parameters: 3.99771e-09 Warning: Normalized difference of parameters [3.997712155822504e-09] is smaller than eps=1e-08. Skip recording xc1=29.882557816339034 Normalized diffrence of parameters: 4.07384e-09 Warning: Normalized difference of parameters [4.073844616538547e-09] is smaller than eps=1e-08. Skip recording **Warning: [xc6=180.00000001490116] is larger than [180]. Add penalty [ 2.22e-16] to fmin xc1=29.882557816339034 Normalized diffrence of parameters: 7.84272e-10 Warning: Normalized difference of parameters [7.842716249852788e-10] is smaller than eps=1e-08. Skip recording xc1=29.882557816339034 Normalized diffrence of parameters: 2.61143e-09 Warning: Normalized difference of parameters [2.611427313907787e-09] is smaller than eps=1e-08. Skip recording xc1=29.882557816339034 Normalized diffrence of parameters: 2.61143e-09 Warning: Normalized difference of parameters [2.6114273139086333e-09] is smaller than eps=1e-08. Skip recording xc1=29.882557816339034 Normalized diffrence of parameters: 2.10018e-11 Warning: Normalized difference of parameters [2.1001819203352665e-11] is smaller than eps=1e-08. Skip recording xc1=29.882557816339034 Normalized diffrence of parameters: 3.17503e-09 Warning: Normalized difference of parameters [3.1750304113470213e-09] is smaller than eps=1e-08. Skip recording xc1=29.882557817189173 Normalized diffrence of parameters: 1.4874e-08 Warning: fmin=7773.37 is larger than fmax_record=2000. Skip recording xc1=29.882557817189173 Normalized diffrence of parameters: 5.85279e-13 Warning: Normalized difference of parameters [5.852787845552055e-13] is smaller than eps=1e-08. Skip recording xc1=29.882557817189173 Normalized diffrence of parameters: 5.85486e-13 Warning: Normalized difference of parameters [5.854858481394501e-13] is smaller than eps=1e-08. Skip recording xc1=29.882557817189173 Normalized diffrence of parameters: 3.25716e-11 Warning: Normalized difference of parameters [3.257158661064604e-11] is smaller than eps=1e-08. Skip recording xc1=29.882557817189173 Normalized diffrence of parameters: 4.17271e-09 Warning: Normalized difference of parameters [4.17271163203874e-09] is smaller than eps=1e-08. Skip recording xc1=29.882557817189173 Normalized diffrence of parameters: 4.17258e-09 Warning: Normalized difference of parameters [4.1725845055720535e-09] is smaller than eps=1e-08. Skip recording xc1=29.882557832090335 Normalized diffrence of parameters: 2.62451e-11 Warning: Normalized difference of parameters [2.6245130904283532e-11] is smaller than eps=1e-08. Skip recording xc1=29.882557817189173 Normalized diffrence of parameters: 3.79566e-09 Warning: Normalized difference of parameters [3.795658522833952e-09] is smaller than eps=1e-08. Skip recording xc1=29.882557817189173 Normalized diffrence of parameters: 3.79557e-09 Warning: Normalized difference of parameters [3.795567785599658e-09] is smaller than eps=1e-08. Skip recording xc1=29.882557817189173 Normalized diffrence of parameters: 2.52622e-11 Warning: Normalized difference of parameters [2.5262189253309318e-11] is smaller than eps=1e-08. Skip recording xc1=29.882557817189173 Normalized diffrence of parameters: 3.26854e-09 Warning: Normalized difference of parameters [3.2685361257511912e-09] is smaller than eps=1e-08. Skip recording xc1=29.882557817189173 Normalized diffrence of parameters: 3.26844e-09 Warning: Normalized difference of parameters [3.2684384998287437e-09] is smaller than eps=1e-08. Skip recording xc1=29.882557817189173 Normalized diffrence of parameters: 2.39688e-11 Warning: Normalized difference of parameters [2.3968789716864873e-11] is smaller than eps=1e-08. Skip recording xc1=29.882557817189173 Normalized diffrence of parameters: 3.99771e-09 Warning: Normalized difference of parameters [3.9977123272345905e-09] is smaller than eps=1e-08. Skip recording xc1=29.882557817189173 Normalized diffrence of parameters: 4.07384e-09 Warning: Normalized difference of parameters [4.073844784747257e-09] is smaller than eps=1e-08. Skip recording **Warning: [xc6=180.00000001490116] is larger than [180]. Add penalty [ 2.22e-16] to fmin xc1=29.882557817189173 Normalized diffrence of parameters: 7.84272e-10 Warning: Normalized difference of parameters [7.842716249852788e-10] is smaller than eps=1e-08. Skip recording xc1=29.882557817189173 Normalized diffrence of parameters: 2.61143e-09 Warning: Normalized difference of parameters [2.611426845734989e-09] is smaller than eps=1e-08. Skip recording xc1=29.882557817189173 Normalized diffrence of parameters: 2.61143e-09 Warning: Normalized difference of parameters [2.6114268457358353e-09] is smaller than eps=1e-08. Skip recording xc1=29.882557817189173 Normalized diffrence of parameters: 2.10018e-11 Warning: Normalized difference of parameters [2.100181918594096e-11] is smaller than eps=1e-08. Skip recording xc1=29.882557817189173 Normalized diffrence of parameters: 3.17503e-09 Warning: Normalized difference of parameters [3.1750304286444458e-09] is smaller than eps=1e-08. Skip recording Message in tkFit_mxy_flex._callback(): xdiff=9.04421e-09 becomes smaller than xatol=1e-08. Terminating iteration Current function value: 7773.365448 Iterations: 6 Function evaluations: 272 Gradient evaluations: 13 *** Warning: Return values of minimize() conflicts. res.fun=7773.365447999544 fit.best_fmin=7773.365448000848 res.x=[ 1.33999670e+03 5.03709163e+04 2.40784012e+01 1.87958226e-01 1.12519247e+06 2.98825578e+01 2.06628265e-01 1.98744609e+05 3.10452765e+01 2.39952991e-01 2.22179645e+05 3.27205361e+01 1.96183621e-01 -6.13954100e+08 1.80000000e+02 3.00323022e-01 3.73060421e+05 3.73430339e+01 2.47017712e-01] fit.best_xk_all=[1339.9967032260706, 50370.91626284834, 24.078401229194167, 0.1879582363423171, 1125192.4741199678, 29.8825578177206, 0.20662826723669875, 198744.60901928664, 31.04527653019673, 0.23995296359803173, 222179.64462184242, 32.720536129053365, 0.19618361544990431, -613954099.9999808, 180.0, 0.30032305597230885, 373060.42062364327, 37.34303389913453, 0.24701771132896794] Use fit.best values Function did not converge Final parameters: 00: bg_c0= 1340 (id=1) (linear=0) penality: 1 * (-1e+10 - 1e+10) 01: I01= 50370.9 (id=1) (linear=1) penality: 1 * (-1e+10 - 1e+10) 02: xc1= 24.0784 (id=1) (linear=0) penality: 1 * (0 - 180) 03: w1= 0.187958 (id=1) (linear=0) penality: 1 * (0 - 100) 04: I02= 1.12519e+06 (id=1) (linear=1) penality: 1 * (-1e+10 - 1e+10) 05: xc2= 29.8826 (id=1) (linear=0) penality: 1 * (0 - 180) 06: w2= 0.206628 (id=1) (linear=0) penality: 1 * (0 - 100) 07: I04= 198745 (id=1) (linear=1) penality: 1 * (-1e+10 - 1e+10) 08: xc4= 31.0453 (id=1) (linear=0) penality: 1 * (0 - 180) 09: w4= 0.239953 (id=1) (linear=0) penality: 1 * (0 - 100) 10: I05= 222180 (id=1) (linear=1) penality: 1 * (-1e+10 - 1e+10) 11: xc5= 32.7205 (id=1) (linear=0) penality: 1 * (0 - 180) 12: w5= 0.196184 (id=1) (linear=0) penality: 1 * (0 - 100) 13: I06=-6.13954e+08 (id=1) (linear=1) penality: 1 * (-1e+10 - 1e+10) 14: xc6= 180 (id=1) (linear=0) penality: 1 * (0 - 180) 15: w6= 0.300323 (id=1) (linear=0) penality: 1 * (0 - 100) 16: I08= 373060 (id=1) (linear=1) penality: 1 * (-1e+10 - 1e+10) 17: xc8= 37.343 (id=1) (linear=0) penality: 1 * (0 - 180) 18: w8= 0.247018 (id=1) (linear=0) penality: 1 * (0 - 100) fmin=1e+300 Save configuration parameters to [D:\git\tkProg\tkprog_COE\optimize\optimize_peakfit\test\xrd.in] Save fitting parameters to [D:\git\tkProg\tkprog_COE\optimize\optimize_peakfit\test\xrd_parameters.csv] (save_parameters) Final data: 2Theta I initial final 20 4995 -2.394 -2.392 21 652 206 206 22 559.3 613.9 613.9 23 1719 1969 1969 24 4.366e+04 4.383e+04 4.383e+04 25 2284 3664 3664 26 3539 3475 3475 27 5843 6105 6105 28 1.401e+04 1.432e+04 1.432e+04 29 5.91e+04 6.11e+04 6.11e+04 30 8.487e+05 8.609e+05 8.609e+05 31 2.323e+05 2.314e+05 2.314e+05 32 3.563e+04 3.739e+04 3.739e+04 33 8.211e+04 8.122e+04 8.122e+04 34 7988 1.002e+04 1.002e+04 35 5412 7016 7016 36 1.028e+04 1.343e+04 1.343e+04 37 1.114e+05 1.278e+05 1.278e+05 38 6.439e+04 4.608e+04 4.608e+04 39 7447 7648 7648 40 3380 2492 2492 Save input, initial, and final data to [xrd-fit.xlsx] Plot optimized *** fit.last_message: Message in tkFit_mxy_flex._callback(): xdiff=9.04421e-09 becomes smaller than xatol=1e-08 time at startup:24/11/19 15:07:05 time at end:24/11/19 15:07:10 Elapsed time from startup to end: 5.35116 sec