feffit 0.1.0

Pure-Rust EXAFS toolkit — data reduction (pre-edge/normalize/AUTOBK), Fourier transforms, FEFF path fitting (feffit), and feff.inp build/run; a port of larch.xafs
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# PCA reference (larch, synthetic Cu-derived)
narr 6
nfreq 612
ncomps 3
nsig 4
ydat 0 0 0.006099431461700137
ydat 0 1 0.00011459362893541904
ydat 0 2 0.00010135991586806826
ydat 0 3 4.281664948815528e-05
ydat 0 4 2.3888046242647243e-05
ydat 0 5 1.6021920941982316e-05
ydat 0 6 6.480018659945222e-05
ydat 0 7 0.0001497345286744084
ydat 0 8 0.0002391653341399902
ydat 0 9 0.0002966704955918705
ydat 0 10 0.000403511085584856
ydat 0 11 0.0006674403913572192
ydat 0 12 0.0008401755941969086
ydat 0 13 0.0012367972715857213
ydat 0 14 0.0016197269226700499
ydat 0 15 0.002515720893077488
ydat 0 16 0.00261017221164871
ydat 0 17 0.002738016843040894
ydat 0 18 0.0027277864640717847
ydat 0 19 0.0027247772872282345
ydat 0 20 0.0028618663178640027
ydat 0 21 0.002951243705868359
ydat 0 22 0.0030018767900369617
ydat 0 23 0.0030761651796735448
ydat 0 24 0.0031381955353220947
ydat 0 25 0.0032056761402015944
ydat 0 26 0.0032532477391280694
ydat 0 27 0.0033020048908456207
ydat 0 28 0.0033278751538398112
ydat 0 29 0.0033954083313580937
ydat 0 30 0.003446987952746056
ydat 0 31 0.0035967836121621145
ydat 0 32 0.0036601133247860106
ydat 0 33 0.003714542303343567
ydat 0 34 0.003810715676758511
ydat 0 35 0.0038883088414993633
ydat 0 36 0.003989207891292093
ydat 0 37 0.004063630007245169
ydat 0 38 0.004162821721677212
ydat 0 39 0.004262378058894146
ydat 0 40 0.004337887359869364
ydat 0 41 0.004460314499810346
ydat 0 42 0.004559673537625534
ydat 0 43 0.004608598054101831
ydat 0 44 0.004783368531846872
ydat 0 45 0.004846343917481446
ydat 0 46 0.005012375093547069
ydat 0 47 0.0051159870609311445
ydat 0 48 0.005181528695845219
ydat 0 49 0.005322937457591124
ydat 0 50 0.005459517395307958
ydat 0 51 0.005619235398445545
ydat 0 52 0.005754603069184596
ydat 0 53 0.0058937057488715715
ydat 0 54 0.006084135697543746
ydat 0 55 0.0062416394256686195
ydat 0 56 0.006398665682313596
ydat 0 57 0.006534239414235523
ydat 0 58 0.006743335977094105
ydat 0 59 0.00688851857014675
ydat 0 60 0.00710514071279062
ydat 0 61 0.007387663243414406
ydat 0 62 0.007626211178961199
ydat 0 63 0.007794676385864825
ydat 0 64 0.008076802211688636
ydat 0 65 0.008277627747221588
ydat 0 66 0.00858655047153578
ydat 0 67 0.008794917051725155
ydat 0 68 0.009121066252957152
ydat 0 69 0.009441908102255786
ydat 0 70 0.009839796431753723
ydat 0 71 0.010192002871467341
ydat 0 72 0.010660896588061772
ydat 0 73 0.011047860750522281
ydat 0 74 0.01149046366538746
ydat 0 75 0.011920189902627066
ydat 0 76 0.01247393981572139
ydat 0 77 0.012993240941042062
ydat 0 78 0.01366867102021666
ydat 0 79 0.014386992888170814
ydat 0 80 0.015257474506709981
ydat 0 81 0.01581727052488704
ydat 0 82 0.016604885655145733
ydat 0 83 0.017802810200376874
ydat 0 84 0.019105638521220644
ydat 0 85 0.02016309046068363
ydat 0 86 0.021664440065189434
ydat 0 87 0.02380926423760187
ydat 0 88 0.02478523120204529
ydat 0 89 0.02688516601916277
ydat 0 90 0.03019559460661166
ydat 0 91 0.03374340154523656
ydat 0 92 0.03828500352823874
ydat 0 93 0.041893658951501565
ydat 0 94 0.05144154174598811
ydat 0 95 0.05835212895426042
ydat 0 96 0.06878657938934948
ydat 0 97 0.09689302362301551
ydat 0 98 0.1315323334653481
ydat 0 99 0.1920704858988686
ydat 0 100 0.2917972888895038
ydat 0 101 0.38082524426474096
ydat 0 102 0.44247573885251024
ydat 0 103 0.4722030511862633
ydat 0 104 0.48255985450700994
ydat 0 105 0.4791291685005565
ydat 0 106 0.47012785647857724
ydat 0 107 0.4595089228277876
ydat 0 108 0.4541539364439911
ydat 0 109 0.46052943919073364
ydat 0 110 0.47201271752653673
ydat 0 111 0.49188054472399206
ydat 0 112 0.5150199238546271
ydat 0 113 0.5337706225090155
ydat 0 114 0.549574060351684
ydat 0 115 0.5664663592590585
ydat 0 116 0.5935861580252068
ydat 0 117 0.610462138626854
ydat 0 118 0.6419714975150135
ydat 0 119 0.6725525261658961
ydat 0 120 0.7175261354450129
ydat 0 121 0.7515879603213123
ydat 0 122 0.7997609184407065
ydat 0 123 0.8466771076766773
ydat 0 124 0.8812359360448401
ydat 0 125 0.9153797661758747
ydat 0 126 0.9584345075352139
ydat 0 127 1.0055012228050237
ydat 0 128 1.0242795282173316
ydat 0 129 1.0442589297578961
ydat 0 130 1.0477343731196778
ydat 0 131 1.0414712772458803
ydat 0 132 1.0319203009778766
ydat 0 133 1.0152889714660978
ydat 0 134 0.9987398506620438
ydat 0 135 0.9814377221698924
ydat 0 136 0.9625277649146545
ydat 0 137 0.9480393364233239
ydat 0 138 0.9398995595867227
ydat 0 139 0.9342474413017036
ydat 0 140 0.9319395235311445
ydat 0 141 0.9356966446115678
ydat 0 142 0.9445926306127901
ydat 0 143 0.9590701274575627
ydat 0 144 0.9869370616778873
ydat 0 145 1.001786499122051
ydat 0 146 1.0258798593468335
ydat 0 147 1.0479627954085766
ydat 0 148 1.0644933472839828
ydat 0 149 1.07218608041596
ydat 0 150 1.0709519996824721
ydat 0 151 1.0627602409554981
ydat 0 152 1.0444040501105796
ydat 0 153 1.0344297975185721
ydat 0 154 1.0165134101674183
ydat 0 155 1.0071003312582456
ydat 0 156 0.982604934940749
ydat 0 157 0.9716490670851049
ydat 0 158 0.9580648070085803
ydat 0 159 0.9444916540624617
ydat 0 160 0.9358872739306392
ydat 0 161 0.9269381365600727
ydat 0 162 0.9150732916940233
ydat 0 163 0.9068693408681532
ydat 0 164 0.8980746443007817
ydat 0 165 0.8921728115924421
ydat 0 166 0.88864335750533
ydat 0 167 0.8878897472708317
ydat 0 168 0.8926559575547682
ydat 0 169 0.8991026535409932
ydat 0 170 0.9101092039799925
ydat 0 171 0.9225134678789675
ydat 0 172 0.9457818945951751
ydat 0 173 0.9678544541782504
ydat 0 174 0.9852903621503263
ydat 0 175 1.0106690604767432
ydat 0 176 1.0354857136780915
ydat 0 177 1.0548850791402709
ydat 0 178 1.0702135386922504
ydat 0 179 1.0721751894132574
ydat 0 180 1.0591669601637677
ydat 0 181 1.033040113785909
ydat 0 182 1.0075968744018984
ydat 0 183 0.9773945486706893
ydat 0 184 0.954502273107472
ydat 0 185 0.9394568518567069
ydat 0 186 0.9291990300588282
ydat 0 187 0.9272705089541075
ydat 0 188 0.9317461065915501
ydat 0 189 0.9422776050004645
ydat 0 190 0.9520741328695845
ydat 0 191 0.9550389031231586
ydat 0 192 0.9511001403560815
ydat 0 193 0.9468079333574265
ydat 0 194 0.9499756307150734
ydat 0 195 0.9620231532983196
ydat 0 196 0.9744558680869039
ydat 0 197 0.9776300815203707
ydat 0 198 0.9755640632429726
ydat 0 199 0.976996668670363
ydat 0 200 0.9866556941160526
ydat 0 201 1.0004062797846307
ydat 0 202 1.0129422891210857
ydat 0 203 1.0211718320853276
ydat 0 204 1.0294128933352367
ydat 0 205 1.039230666502163
ydat 0 206 1.054118806457628
ydat 0 207 1.0695433117209363
ydat 0 208 1.0815113664752125
ydat 0 209 1.0822953123441676
ydat 0 210 1.0715758358777867
ydat 0 211 1.0491928475359034
ydat 0 212 1.0190021420791853
ydat 0 213 0.9940725454782134
ydat 0 214 0.9748503796701018
ydat 0 215 0.958013417364196
ydat 0 216 0.9490420167329476
ydat 0 217 0.9475294376791794
ydat 0 218 0.9383796620194329
ydat 0 219 0.9153425612112881
ydat 0 220 0.8942180108207812
ydat 0 221 0.8790634258062824
ydat 0 222 0.8759690761097423
ydat 0 223 0.8853292984276674
ydat 0 224 0.9015588816122064
ydat 0 225 0.9226574070623349
ydat 0 226 0.9460741321071008
ydat 0 227 0.9683019465876116
ydat 0 228 0.9829478030847869
ydat 0 229 0.9863867053794528
ydat 0 230 0.9797277240553842
ydat 0 231 0.9716157699439675
ydat 0 232 0.9694226547700003
ydat 0 233 0.9874311502722942
ydat 0 234 1.0307009380110352
ydat 0 235 1.0851419977706298
ydat 0 236 1.1130166733951028
ydat 0 237 1.1146255674943888
ydat 0 238 1.1023012296529056
ydat 0 239 1.0900971632142589
ydat 0 240 1.0759437566864434
ydat 0 241 1.049636358832737
ydat 0 242 1.0143016509227802
ydat 0 243 0.9710495977405325
ydat 0 244 0.9240661388649302
ydat 0 245 0.877921394626134
ydat 0 246 0.8383691214337581
ydat 0 247 0.8139589483695787
ydat 0 248 0.8114354171490551
ydat 0 249 0.8329792722481358
ydat 0 250 0.8708182587422445
ydat 0 251 0.9153225753998846
ydat 0 252 0.958743677464579
ydat 0 253 0.9875522666475305
ydat 0 254 1.003239813422705
ydat 0 255 1.0008603466887325
ydat 0 256 0.9845174388759276
ydat 0 257 0.9692544152204345
ydat 0 258 0.9620153080078174
ydat 0 259 0.9593179800048156
ydat 0 260 0.9476725221180802
ydat 0 261 0.9304255139185252
ydat 0 262 0.9271980524446098
ydat 0 263 0.9479146419326596
ydat 0 264 0.9907706037452112
ydat 0 265 1.0335371534047508
ydat 0 266 1.0485255500135782
ydat 0 267 1.0504466334256333
ydat 0 268 1.0441865138338382
ydat 0 269 1.0260907818592309
ydat 0 270 0.9937562511717126
ydat 0 271 0.953463670749039
ydat 0 272 0.9157652861503073
ydat 0 273 0.887226630503457
ydat 0 274 0.8701924224683272
ydat 0 275 0.8628804533400707
ydat 0 276 0.8662113714110496
ydat 0 277 0.8803570832442645
ydat 0 278 0.8909014321839581
ydat 0 279 0.891168877527938
ydat 0 280 0.8939619945535262
ydat 0 281 0.8980616702381623
ydat 0 282 0.900052340611493
ydat 0 283 0.9073338820844685
ydat 0 284 0.9220213772442297
ydat 0 285 0.9355379658614423
ydat 0 286 0.9448209271481495
ydat 0 287 0.9497815171816869
ydat 0 288 0.9509039012675213
ydat 0 289 0.9508025375408448
ydat 0 290 0.9556433825672352
ydat 0 291 0.9628737327930833
ydat 0 292 0.9721210135523675
ydat 0 293 0.9800569076937143
ydat 0 294 0.9714228897050052
ydat 0 295 0.9511298733405377
ydat 0 296 0.932524528388634
ydat 0 297 0.9121899036362581
ydat 0 298 0.8935985807895257
ydat 0 299 0.885540333223157
ydat 0 300 0.8888819033241072
ydat 0 301 0.8982484229963507
ydat 0 302 0.9057067136633781
ydat 0 303 0.9005039517182308
ydat 0 304 0.8838323169295167
ydat 0 305 0.8623336835612387
ydat 0 306 0.8527396979363739
ydat 0 307 0.8639078119979325
ydat 0 308 0.8757231609151717
ydat 0 309 0.876871819693064
ydat 0 310 0.8824534855416656
ydat 0 311 0.8905432219830108
ydat 0 312 0.8945852471947578
ydat 0 313 0.8988666789011417
ydat 0 314 0.9035067419538938
ydat 0 315 0.9076428566535454
ydat 0 316 0.9116352747516289
ydat 0 317 0.9146593252190512
ydat 0 318 0.9165087562950407
ydat 0 319 0.9180366495005063
ydat 0 320 0.9191712149893707
ydat 0 321 0.9181052277449592
ydat 0 322 0.9117523433211886
ydat 0 323 0.8982868878326028
ydat 0 324 0.880772841904227
ydat 0 325 0.8665862127243417
ydat 0 326 0.8619718935130164
ydat 0 327 0.8631025199288433
ydat 0 328 0.8681553025401291
ydat 0 329 0.8756434073308045
ydat 0 330 0.8802381965726208
ydat 0 331 0.8794778059386628
ydat 0 332 0.8740476112404313
ydat 0 333 0.8622197654372351
ydat 0 334 0.8505800040252864
ydat 0 335 0.8493103829722203
ydat 0 336 0.8543980674982122
ydat 0 337 0.8540348625721385
ydat 0 338 0.8490623156478393
ydat 0 339 0.8471529387128807
ydat 0 340 0.8479223080296296
ydat 0 341 0.8524105811428858
ydat 0 342 0.8597655263328968
ydat 0 343 0.86636134475
ydat 0 344 0.874109584732853
ydat 0 345 0.8834358402672718
ydat 0 346 0.8914440972254306
ydat 0 347 0.8946905237081455
ydat 0 348 0.8921268758695681
ydat 0 349 0.8822514859249085
ydat 0 350 0.864124866011149
ydat 0 351 0.8455279711148113
ydat 0 352 0.8382975674983378
ydat 0 353 0.837037112760533
ydat 0 354 0.8374019344924589
ydat 0 355 0.8374500927645192
ydat 0 356 0.8388981308125425
ydat 0 357 0.841698080132648
ydat 0 358 0.8430817404161602
ydat 0 359 0.8410646713247718
ydat 0 360 0.8397615165895006
ydat 0 361 0.8393595174229211
ydat 0 362 0.8368277173165961
ydat 0 363 0.8302691793162013
ydat 0 364 0.8276005045020945
ydat 0 365 0.8283710018259035
ydat 0 366 0.8287333030353807
ydat 0 367 0.8317169510502114
ydat 0 368 0.834521942547884
ydat 0 369 0.8350632329983112
ydat 0 370 0.8358031735690691
ydat 0 371 0.838942364054969
ydat 0 372 0.8432388490909376
ydat 0 373 0.8433475315742729
ydat 0 374 0.8405942917209576
ydat 0 375 0.8373917972073297
ydat 0 376 0.8342711481736419
ydat 0 377 0.8325838724069214
ydat 0 378 0.8297107026107753
ydat 0 379 0.8244051888443802
ydat 0 380 0.8207182140010799
ydat 0 381 0.8190634667993831
ydat 0 382 0.8184257074868407
ydat 0 383 0.8194167715830472
ydat 0 384 0.8179769915588533
ydat 0 385 0.8135688421909727
ydat 0 386 0.812705709048511
ydat 0 387 0.8133614608908715
ydat 0 388 0.8124820293998125
ydat 0 389 0.8096252361731122
ydat 0 390 0.8076788454560259
ydat 0 391 0.8066360960089582
ydat 0 392 0.8039542252090329
ydat 0 393 0.8043311958819246
ydat 0 394 0.8061353268920521
ydat 0 395 0.8079788464338686
ydat 0 396 0.8117920227497563
ydat 0 397 0.8129298443210055
ydat 0 398 0.8127694606417512
ydat 0 399 0.8124274687773007
ydat 0 400 0.8096580569955638
ydat 0 401 0.8048396022770525
ydat 0 402 0.8017149911982122
ydat 0 403 0.8020463804804773
ydat 0 404 0.8033941831499939
ydat 0 405 0.8041332789120158
ydat 0 406 0.8044475566093869
ydat 0 407 0.8028604858256562
ydat 0 408 0.79877747243682
ydat 0 409 0.7951142430872026
ydat 0 410 0.7919403854662455
ydat 0 411 0.7899727217390595
ydat 0 412 0.7895004029287673
ydat 0 413 0.7887685864550172
ydat 0 414 0.7871411546425355
ydat 0 415 0.7862898707487255
ydat 0 416 0.7852507584583805
ydat 0 417 0.7844924095727643
ydat 0 418 0.7848338848378925
ydat 0 419 0.7842899443497228
ydat 0 420 0.7840506130289455
ydat 0 421 0.7854847567086644
ydat 0 422 0.786791856896479
ydat 0 423 0.786924362636876
ydat 0 424 0.7863809291384737
ydat 0 425 0.785477238689196
ydat 0 426 0.7839114444193742
ydat 0 427 0.7827917170529671
ydat 0 428 0.7818889027862731
ydat 0 429 0.7802580358271942
ydat 0 430 0.7777192661173586
ydat 0 431 0.7762027185755715
ydat 0 432 0.7749964887233854
ydat 0 433 0.775022583757
ydat 0 434 0.775111021589913
ydat 0 435 0.7751693775695642
ydat 0 436 0.7729738835176264
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