R Under development (unstable) (2025-09-01 r88761 ucrt) -- "Unsuffered Consequences" Copyright (C) 2025 The R Foundation for Statistical Computing Platform: x86_64-w64-mingw32/x64 R is free software and comes with ABSOLUTELY NO WARRANTY. You are welcome to redistribute it under certain conditions. Type 'license()' or 'licence()' for distribution details. R is a collaborative project with many contributors. Type 'contributors()' for more information and 'citation()' on how to cite R or R packages in publications. Type 'demo()' for some demos, 'help()' for on-line help, or 'help.start()' for an HTML browser interface to help. Type 'q()' to quit R. > library(tools) > library(albatross) > data(feems) > > # assuming that all wavelengths in absorp are the same, > stopifnot(0 == sum(sapply(2:length(absorp), function(i) + sum(abs(absorp[[i]][,1] - absorp[[1]][,1])) + ))) > # build a matrix of absorbance spectra with named columns > absmat <- do.call(cbind, c(list(absorp[[1]][,1]), lapply(absorp, `[`,, 2))) > > # simple one-spectrum correction > feemcube(list( + before = feemscatter(feems$a, rep(24, 4)), + after = feemscatter(feemife(feems$a, absorp$a), rep(24, 4)) + ), TRUE) , , sample = before excitation emission 230 235 240 245 250 240 NA NA NA NA NA 242 NA NA NA NA NA 244 NA NA NA NA NA 246 NA NA NA NA NA 248 NA NA NA NA NA 250 NA NA NA NA NA 252 NA NA NA NA NA 254 NA NA NA NA NA 256 NA NA NA NA NA 258 NA NA NA NA NA 260 NA NA NA NA NA 262 NA NA NA NA NA 264 NA NA NA NA NA 266 NA NA NA NA NA 268 NA NA NA NA NA 270 NA NA NA NA NA 272 NA NA NA NA NA 274 0.44241166 NA NA NA NA 276 0.64010828 NA NA NA NA 278 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-0.148526632 0.08756965 -0.608021611 248 0.051281524 0.004453300 0.227857532 0.22821814 -0.454422741 250 0.350121462 0.507429704 0.409613078 -0.29796429 0.218085499 252 0.188495600 -0.278405695 0.015798779 0.18789984 0.513511371 254 -0.194078298 0.141447826 0.238196140 0.21015348 -0.031928057 256 -0.233337815 0.104091731 -0.267807204 0.51730043 -0.146138218 258 0.152627935 -0.190074938 0.002849321 -0.23559304 -0.009612355 260 -0.279563107 -0.467787783 -0.246366754 0.10978669 -0.206515665 262 0.390598397 0.121275546 0.046134184 -0.61406570 -0.238515871 264 -0.012949985 0.188550126 -0.171369531 0.03404815 -0.354110895 266 0.054868094 0.206156329 -0.099752585 0.19888621 0.130923752 268 -0.621069615 0.067685840 -0.136169875 0.36379190 0.034527379 270 0.372291090 0.104970526 -0.088951997 -0.31966598 -0.287752761 272 -0.104452533 -0.010045127 -0.221521785 0.15465271 -0.049809587 274 0.235358581 -0.084291362 -0.187704720 -0.01091563 0.133801437 276 -0.583600277 0.210183106 -0.073266058 0.11396992 -0.233842911 278 0.154184725 0.121879003 0.332240238 0.30933054 -0.318158535 280 0.103331771 0.576488711 0.360428452 0.01635146 0.038338172 282 -0.452913827 -0.072016035 -0.008521137 0.47978995 0.144744187 284 0.049324995 -0.356332618 0.178227891 -0.22949391 -0.267122735 286 -0.361964476 -0.135336984 0.325498220 0.37972595 -0.537635518 288 -0.246246007 0.082523421 -0.213317576 0.32118153 0.137225835 290 0.179968842 0.212673311 -0.076150198 -0.46224124 -0.150319980 292 -0.026333916 0.030206702 0.131263128 -0.09503810 0.483416329 294 -0.065148759 0.116938632 0.182138402 -0.34479240 0.031447845 296 -0.188859980 0.088188390 -0.067685027 0.29032939 0.301806716 298 -0.544591507 0.253280473 0.076357774 0.49977840 0.114430026 300 0.167281003 0.551549314 0.024830184 -0.86427236 -0.023288883 302 -0.580065944 0.362459011 -0.129808733 0.62226529 0.325133570 304 0.475199571 0.181054916 -0.622071845 0.04129846 0.185101617 306 0.332864897 0.164643145 0.194908571 0.04120735 -0.013736495 308 NA -0.170286188 0.223103593 -0.39258275 0.335384541 310 NA 0.388676997 0.289984742 0.04609240 0.421883851 312 NA NA 0.026464065 -0.15287732 0.089271176 314 NA NA 0.646275676 0.32111083 0.275574769 316 NA NA 0.493302960 -0.32373437 -0.234797777 318 NA NA NA -0.18759428 0.250352635 320 NA NA NA 0.32848279 0.115028814 322 NA NA NA NA 0.465136010 324 NA NA NA NA 0.165345668 326 NA NA NA NA 0.228106832 328 NA NA NA NA NA 330 NA NA NA NA NA 332 NA NA NA NA NA 334 NA NA NA NA NA 336 NA NA NA NA NA 338 NA NA NA NA NA 340 NA NA NA NA NA 342 NA NA NA NA NA 344 NA NA NA NA NA 346 NA NA NA NA NA 348 NA NA NA NA NA 350 NA NA NA NA NA 352 NA NA NA NA NA 354 NA NA NA NA NA 356 NA NA NA NA NA 358 NA NA NA NA NA 360 NA NA NA NA NA 362 NA NA NA NA NA 364 NA NA NA NA NA 366 NA NA NA NA NA 368 NA NA NA NA NA 370 NA NA NA NA NA 372 NA NA NA NA NA 374 NA NA NA NA NA 376 NA NA NA NA NA 378 NA NA NA NA NA 380 NA NA NA NA NA 382 NA NA NA NA NA 384 NA NA NA NA NA 386 NA NA NA NA NA 388 NA NA NA NA NA 390 NA NA NA NA NA 392 NA NA NA NA NA 394 NA NA NA NA NA 396 0.214330732 NA NA NA NA 398 0.387126804 NA NA NA NA 400 0.240476773 NA NA NA NA 402 -0.473970663 NA NA NA NA 404 0.406921111 -0.074351378 NA NA NA 406 0.280643000 0.099496365 NA NA NA 408 -0.145924552 -0.008991594 NA NA NA 410 0.380076217 -0.135986669 -0.004064646 NA NA 412 -0.456167078 -0.146533494 -0.463815570 NA NA 414 0.009010501 -0.057316228 -0.180401090 NA NA 416 0.476758845 -0.100490189 -0.243241954 -0.23937491 NA 418 0.184130627 0.038385567 -0.162674669 0.03446525 NA 420 0.147151029 0.289924333 -0.072308284 0.42311195 NA 422 -0.541307447 -0.264673316 0.086801249 0.18843145 0.263664951 424 -0.361059428 0.310429727 -0.175404831 0.49170106 0.335263101 426 -0.247511688 0.130588315 0.197735403 -0.24349150 0.051460039 428 -0.162381116 -0.247844119 -0.257611608 0.35508527 0.330311391 430 0.470423994 -0.097781083 0.130281288 0.47477769 0.100780931 432 -0.040087406 0.313458152 -0.148090063 -0.28229324 -0.074666388 434 -0.192536281 0.392668878 0.539423914 -0.56204501 -0.355879560 436 -0.038227670 0.081386333 -0.021530639 -0.07685066 0.354978027 438 0.357747958 -0.053397987 0.203783185 0.17365745 -0.282796305 440 0.110050757 -0.527006657 0.239016802 0.09799583 0.190228146 442 -0.104206186 -0.521329096 -0.142233597 0.20027060 -0.036010182 444 -0.626078070 0.171055068 0.163506148 -0.39335785 -0.078424929 446 0.201285250 0.077136971 -0.250042263 -0.18382886 -0.247488715 448 -0.100401066 0.262003056 0.323088355 0.35707751 -0.294832604 450 0.070801774 0.439318427 0.246478911 0.02662616 -0.088690401 attr(,"emission") [1] 240 242 244 246 248 250 252 254 256 258 260 262 264 266 268 270 272 274 [19] 276 278 280 282 284 286 288 290 292 294 296 298 300 302 304 306 308 310 [37] 312 314 316 318 320 322 324 326 328 330 332 334 336 338 340 342 344 346 [55] 348 350 352 354 356 358 360 362 364 366 368 370 372 374 376 378 380 382 [73] 384 386 388 390 392 394 396 398 400 402 404 406 408 410 412 414 416 418 [91] 420 422 424 426 428 430 432 434 436 438 440 442 444 446 448 450 attr(,"excitation") [1] 230 235 240 245 250 255 260 265 270 275 280 285 290 295 300 305 310 315 320 [20] 325 330 335 340 345 350 attr(,"scales") before after 1 1 attr(,"class") [1] "feemcube" > > # list-list correction > # corr[[i]] should match the result of IFE-correcting > # feems[[name[i]]] with absorp[[name[i]] > check.ife <- function(corr, name) stopifnot(simplify2array(Map( + function(x, n) all.equal(feemife(feems[[n]], absorp[[n]]), x), + corr, name + ))) > check.ife(feemife(feems, absorp), names(feems)) > subn <- c('a','e','j','g') > check.ife(feemife(feems[subn], absorp), subn) > check.ife(feemife(unname(feems[subn]), unname(absorp[subn])), subn) > # correction should fail if lengths are the same but names don't match > assertError( + feemife(feems[c('a', 'b', 'c')], absorp[c('c', 'a', 'd')]), + verbose = TRUE + ) Asserted error: Failed to look up absorbance data corresponding to the spectra: * The following spectra don't have corresponding absorbance data: "b" * Since both spectra and absorbance data are named, refusing to match them despite having 3 spectra in both datasets > # should fail if names of feems are duplicated > assertError( + feemife(feems[c('a', 'a', 'c')], absorp[c('c', 'a', 'd')]), + verbose = TRUE + ) Asserted error: Failed to look up absorbance data corresponding to the spectra: * The following spectra have duplicated names: "a" * Since both spectra and absorbance data are named, refusing to match them despite having 3 spectra in both datasets > # should fail if no names but lengths differ > assertError( + feemife(unname(feems[c('a', 'a', 'c')]), unname(absorp[c('c', 'a')])), + verbose = TRUE + ) Asserted error: Failed to look up absorbance data corresponding to the spectra: * No names for absorbance data * No names for the spectra * Have 3 spectra but 2 absorbance data > > # list-matrix correction > check.ife(feemife(feems, absmat), names(feems)) > check.ife(feemife(feems[subn], absmat), subn) > check.ife( + feemife( + unname(feems[subn]), + unname(absmat[, c(1, match(subn, colnames(absmat)))]) + ), subn + ) > assertError(feemife( + feems[c('a', 'b', 'c')], + absmat[, c(1, match(c('c', 'a', 'd'), colnames(absmat)))] + ), verbose = TRUE) Asserted error: Failed to look up absorbance data corresponding to the spectra: * The following spectra don't have corresponding absorbance data: "b" * Since both spectra and absorbance data are named, refusing to match them despite having 3 spectra in both datasets > > # feemcube-list correction > fcube <- feemcube(feems, TRUE) > check.ife2 <- function(corr, name) stopifnot(sapply( + seq_along(name), function(i) { + reference <- feemife(feems[[name[i]]], absorp[[name[i]]]) + all.equal( + reference, + corr[ + match(attr(reference, 'emission'), attr(corr, 'emission')), + match(attr(reference, 'excitation'), attr(corr, 'excitation')), + i + ] + ) + } + )) > check.ife2(feemife(fcube, absorp), dimnames(fcube)[[3]]) > check.ife2( + feemife(fcube[,,subn], absorp), subn + ) > check.ife2( + feemife(unname(fcube[,,subn]), unname(absorp[subn])), subn + ) > assertError(feemife( + fcube[,,c('a', 'b', 'c')], absorp[c('c', 'a', 'd')] + ), verbose = TRUE) Asserted error: Failed to look up absorbance data corresponding to the spectra: * The following spectra don't have corresponding absorbance data: "b" * Since both spectra and absorbance data are named, refusing to match them despite having 3 spectra in both datasets > > # feemcube-matrix correction > check.ife2(feemife(fcube, absmat), dimnames(fcube)[[3]]) > check.ife2( + feemife(fcube[,,subn], absmat), subn + ) > check.ife2( + feemife( + unname(fcube[,,subn]), + unname(absmat[, c(1, match(subn, colnames(absmat)))]) + ), subn + ) > assertError(feemife( + fcube[,,c('a', 'b', 'c')], + absmat[, c(1, match(c('c', 'a', 'd'), colnames(absmat)))] + ), verbose = TRUE) Asserted error: Failed to look up absorbance data corresponding to the spectra: * The following spectra don't have corresponding absorbance data: "b" * Since both spectra and absorbance data are named, refusing to match them despite having 3 spectra in both datasets > > feemife(feems, absorp, progress = TRUE) ================================================================================ $a excitation emission 230 235 240 245 250 240 15.49710815 1.840856e+01 18.25269117 14.464826439 9.167213991 242 14.11145390 1.683449e+01 17.79453248 15.689743552 10.904123839 244 12.03282160 1.539862e+01 17.03827071 16.653700184 13.011238664 246 10.50815836 1.349323e+01 16.31464010 17.037627171 14.337359928 248 9.01892285 1.183713e+01 14.08097247 16.109304095 15.221702819 250 7.75130463 1.031527e+01 13.29668003 14.813525922 15.142727555 252 6.61314197 9.127446e+00 11.29008641 13.849314498 15.379358062 254 5.16481318 7.669541e+00 10.02071446 12.550010453 14.754615170 256 4.80790284 6.786349e+00 8.29801444 11.175031877 14.184324415 258 3.96909670 5.595304e+00 7.31036115 9.874864063 12.003432656 260 2.69201892 4.822603e+00 6.79641620 8.291900078 11.079890120 262 2.01702679 4.241342e+00 5.93811154 7.977260023 9.400532172 264 1.02637045 3.313733e+00 5.58926769 7.316576187 8.764373627 266 1.23006469 2.739046e+00 4.88488774 6.484224880 7.762852440 268 0.31628241 2.497579e+00 4.48722897 6.682454195 7.152886259 270 0.79657631 2.580799e+00 4.73419240 6.638499002 7.023944679 272 0.42386181 1.613707e+00 4.16769278 5.918231051 8.069038314 274 0.67957424 1.860390e+00 3.25788603 6.738169840 8.060598723 276 0.96506572 2.171232e+00 4.09710586 6.267183281 8.338679454 278 1.28246674 2.265681e+00 3.72254762 6.387073876 7.728649473 280 1.65558034 1.893442e+00 3.96828142 6.130547270 8.212630021 282 1.25182986 2.190770e+00 4.36986064 5.820609323 8.067815638 284 1.41974261 2.158206e+00 4.46106211 6.266624009 8.167226763 286 1.51452072 2.509951e+00 3.37344492 5.984104475 7.070968903 288 1.53806255 2.917647e+00 3.42459185 5.061032485 7.032795706 290 1.69162679 2.548871e+00 3.88216865 5.108447902 6.337168772 292 2.08909244 2.487198e+00 3.46008831 5.016557326 6.181681138 294 2.49830991 3.184119e+00 3.38636567 4.112175002 5.576718781 296 2.55833119 2.362090e+00 3.74490987 4.253070239 5.222472108 298 2.18697518 2.551549e+00 3.12812512 4.275436186 4.801639322 300 2.47970872 2.395298e+00 2.77799004 3.787462446 4.549912064 302 2.21816691 2.185102e+00 2.85703108 3.033424171 4.217885282 304 1.99787846 2.546107e+00 2.97364651 2.902244355 3.798161411 306 2.58478515 2.131787e+00 2.61582299 2.753534937 3.443143197 308 2.51865255 2.407789e+00 2.54039348 2.746448676 3.354841914 310 2.81417848 1.917105e+00 1.59264374 1.858291212 2.687069244 312 2.22878137 1.848283e+00 1.89942749 2.204473103 2.139452701 314 1.68814277 1.506618e+00 1.84088963 2.068858328 2.008117762 316 2.14079895 1.495555e+00 1.82773283 1.334262834 1.361075428 318 1.50496990 1.551431e+00 0.46740794 1.522887948 1.933180108 320 1.49360414 7.414918e-01 0.85578663 1.322935938 1.914665998 322 1.55876205 9.023755e-01 1.16393940 0.865832931 0.995116535 324 1.44749823 1.158752e+00 0.96109153 0.624224139 0.838701150 326 1.07735795 6.691627e-01 0.81200739 0.556573514 0.424255090 328 1.66999447 1.179365e+00 0.17073931 -0.015453426 0.686031507 330 1.36870415 5.377355e-01 0.46768150 0.606518779 0.795393419 332 0.93713436 5.174211e-01 -0.11155136 0.486432144 0.675088346 334 0.88015798 6.415865e-01 0.46239762 0.303445677 0.400986515 336 0.69735924 5.764902e-01 0.13463282 -0.461760458 0.721945674 338 1.07543745 5.331618e-01 -0.02748586 0.366430368 0.834578649 340 1.15692457 6.776988e-01 0.39907440 0.419983010 0.216223652 342 0.70975856 6.783070e-01 0.84140418 -0.010746151 0.403181765 344 1.06341543 -4.423480e-02 -0.15576154 0.506453871 0.589595601 346 0.61991808 7.042975e-01 0.02129031 0.366429913 0.160523527 348 0.72422703 7.773587e-01 0.19066944 -0.151594899 0.262843076 350 0.91193652 1.442022e-01 0.02329620 -0.100737994 -0.105604717 352 0.32188281 -2.113439e-01 -0.09291129 0.096017495 -0.055816461 354 0.52541764 -1.712825e-01 0.35920629 -0.135127288 -0.498379778 356 0.60094328 -2.766958e-01 -0.11778675 -0.161853878 -0.026997151 358 0.29015965 3.309670e-01 0.10786967 0.513018792 0.008305540 360 0.41812442 4.018373e-01 0.41960940 -0.211666588 0.452265864 362 0.45894467 6.217763e-01 0.23207033 0.183780321 -0.171457263 364 0.65596942 2.777344e-01 -0.33807815 -0.340839406 0.108011988 366 0.55679379 4.340044e-01 0.48315807 0.094457866 0.006756513 368 0.16236487 6.260991e-05 0.25577068 0.252544173 0.009557277 370 0.43000285 -1.350992e-01 0.15768164 0.402162644 0.152158735 372 0.68235552 2.137911e-01 0.05232194 -0.237231452 0.534786785 374 0.04676391 2.248772e-01 -0.16240004 -0.135105736 -0.227129588 376 0.61620516 -4.691801e-01 -0.15624597 0.327830769 0.289272569 378 -0.19045035 3.804000e-01 -0.19754518 0.236943888 -0.105738154 380 -0.06765690 -6.802185e-02 -0.32670691 -0.016998731 -0.234736225 382 0.21511631 6.787336e-02 0.21677710 0.075011787 0.322938697 384 -0.32018935 -1.952390e-01 -0.32601055 -0.081595189 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378 380 382 [73] 384 386 388 390 392 394 396 398 400 402 404 406 408 410 412 414 416 418 [91] 420 422 424 426 428 430 432 434 436 438 440 442 444 446 448 450 attr(,"excitation") [1] 230 235 240 245 250 255 260 265 270 275 280 285 290 295 300 305 310 315 320 [20] 325 330 335 340 345 350 attr(,"scale") [1] 1 attr(,"class") [1] "feem" > # arrange must work (and report errors) for paths the same way as for > # absorption spectra themselves > feemife(feems[c('b','a','c')], absorp, setNames(rep(1, 12), letters[1:12])) $b excitation emission 230 235 240 245 250 240 15.64211922 18.329581849 18.376717002 14.832779818 9.13962454 242 13.98301387 16.651413651 18.181881880 15.742266051 11.42769549 244 12.26857073 15.732204178 17.049439425 17.052729325 12.93527081 246 10.38542779 14.185741435 16.376951585 16.912144462 14.40656165 248 9.57018831 11.578039716 14.699679581 16.052062237 15.65612826 250 7.50311285 9.690322151 12.772699039 15.899246569 15.25010270 252 6.26786898 9.003295064 11.384944483 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-0.090194845 1.869985e-01 0.305520300 -0.229300034 442 -0.195986974 -0.156556356 7.046479e-02 0.748685785 0.302421584 444 -0.002957683 0.460531424 -4.236465e-01 -0.652516307 -0.315587204 446 0.269952820 0.274392714 -5.872871e-01 -0.211449857 -0.267921549 448 -0.287914402 -0.005569657 -8.118244e-03 0.033588922 0.030353329 450 0.088458934 -0.106917263 6.856913e-01 -0.208659307 0.038178642 attr(,"emission") [1] 240 242 244 246 248 250 252 254 256 258 260 262 264 266 268 270 272 274 [19] 276 278 280 282 284 286 288 290 292 294 296 298 300 302 304 306 308 310 [37] 312 314 316 318 320 322 324 326 328 330 332 334 336 338 340 342 344 346 [55] 348 350 352 354 356 358 360 362 364 366 368 370 372 374 376 378 380 382 [73] 384 386 388 390 392 394 396 398 400 402 404 406 408 410 412 414 416 418 [91] 420 422 424 426 428 430 432 434 436 438 440 442 444 446 448 450 attr(,"excitation") [1] 230 235 240 245 250 255 260 265 270 275 280 285 290 295 300 305 310 315 320 [20] 325 330 335 340 345 350 attr(,"scale") [1] 1 attr(,"class") [1] "feem" > stopifnot(all.equal( + feemife(feems, absorp, 1:12), + feemife(feems, absorp, setNames(12:1, rev(letters[1:12]))) + )) > assertError(feemife( + feems[c('a','a','b','c')], absorp, + setNames(rep(1, 12), letters[1:12]) + ), verbose = TRUE) Asserted error: Failed to look up absorbance data corresponding to the spectra: * The following spectra have duplicated names: "a" > assertError(feemife( + feems[c('a','b','c')], absorp, + setNames(rep(1, 3), letters[1:3 + 1]) + ), verbose = TRUE) Asserted error: Failed to look up cell lengths corresponding to the spectra: * The following spectra don't have corresponding cell lengths: "a" * Since both spectra and cell lengths are named, refusing to match them despite having 3 spectra in both datasets > assertError( + feemife(feems[c('a','b','c')], absorp, rep(1, 4)), + verbose = TRUE + ) Asserted error: Failed to look up cell lengths corresponding to the spectra: * No names for cell lengths * Have 3 spectra but 4 cell lengths > > # also test cubeapply error wrapping > ab <- absorp > ab$e <- ab$e[ab$e[,1] > min(attr(feems$e, 'emission')) + 10,] > (assertCondition(feemife(feems, ab), 'feem.wrapped.error', verbose = TRUE)) assertCondition: caught "feem.wrapped.error" [[1]] > > proc.time() user system elapsed 0.96 0.43 1.34