Description Usage Arguments Value Author(s) Examples
This function allows to identify peaks of a mid-infrared spectra.
1 | sppeak(spectra, span = 3, tol = 0.2)
|
spectra |
matrix. The matrix of FTIR spectra. The first row corresponds to wavenumber; the remaining rows corresponds to absorbances. |
span |
numeric. Peak detection threshold. |
tol |
numeric. Percentage of the maximum value of the spectrum (positive value). |
An object of class sppeak, which is a list of matrices for each of the spectrum.
Claudio Pozo Valenzuela [aut, cre] and Saddys Rodriguez-llamazares [aut]
1 2 3 4 5 6 7 8 9 |
Loading required package: pracma
[,1] [,2] [,3] [,4] [,5]
[1,] 3980.3557700 3968.3028520 3961.5532170 3947.5718320 3942.2685480
[2,] 0.1552488 0.1561192 0.1566825 0.1581786 0.1585918
[,6] [,7] [,8] [,9] [,10]
[1,] 3931.6619800 3923.9481120 3916.716361 3902.2528590 3898.8780420
[2,] 0.1596519 0.1602188 0.160714 0.1626401 0.1625264
[,11] [,12] [,13] [,14] [,15]
[1,] 3891.646291 3880.5576060 3869.4689210 3862.7192870 3855.9696520
[2,] 0.163368 0.1652046 0.1670741 0.1680825 0.1695909
[,16] [,17] [,18] [,19] [,20]
[1,] 3852.112718 3839.0955660 3831.8638150 3817.4003130 3801.9725780
[2,] 0.170078 0.1732783 0.1739309 0.1779457 0.1819154
[,21] [,22] [,23] [,24] [,25]
[1,] 3750.3860870 3746.0470360 3733.9941180 3566.6996110 3541.1474240
[2,] 0.2000405 0.2021681 0.2085145 0.3806962 0.3848771
[,26] [,27] [,28] [,29] [,30]
[1,] 3535.362023 3527.6481550 3522.3448710 3509.8098360 3501.1317350
[2,] 0.385132 0.3857399 0.3857457 0.3859775 0.3857644
[,31] [,32] [,33] [,34] [,35]
[1,] 3496.3105670 3493.8999840 3487.150349 3482.3291820 3466.9014470
[2,] 0.3853945 0.3853934 0.385238 0.3852238 0.3843967
[,36] [,37] [,38] [,39] [,40]
[1,] 3463.0445130 3456.294878 3450.5094770 3447.616777 3441.8313760
[2,] 0.3843403 0.383937 0.3835349 0.383545 0.3834322
[,41] [,42] [,43] [,44] [,45]
[1,] 3438.4565590 3428.8142240 3419.1718900 3411.940139 3395.5481700
[2,] 0.3833434 0.3833668 0.3838772 0.384351 0.3864641
[,46] [,47] [,48] [,49] [,50]
[1,] 3350.2291960 3336.7299280 3332.8729940 3326.1233600 3322.2664260
[2,] 0.3940023 0.3952907 0.3954282 0.3958489 0.3958548
[,51] [,52] [,53] [,54] [,55]
[1,] 3319.3737250 3316.4810250 3309.7313910 3299.1248220 3277.9116860
[2,] 0.3958503 0.3957913 0.3957384 0.3950886 0.3927502
[,56] [,57] [,58] [,59] [,60]
[1,] 2929.8234030 1867.2381170 1846.0249810 1841.2038140 1828.6687790
[2,] 0.3009468 0.1177905 0.1203984 0.1209864 0.1236664
[,61] [,62] [,63] [,64] [,65]
[1,] 1701.8720770 1655.5888700 1653.6604030 1649.8034700 1558.2012900
[2,] 0.1965886 0.2589221 0.2588699 0.2586436 0.2062505
[,66] [,67] [,68] [,69] [,70]
[1,] 1458.8852420 1423.2086040 1417.905320 1373.0684630 1340.2845250
[2,] 0.3468832 0.3505877 0.350529 0.3564417 0.3397453
[,71] [,72] [,73] [,74] [,75]
[1,] 1302.6794200 1236.6294270 1161.4192160 1083.3163050 1015.3378450
[2,] 0.3148019 0.3434842 0.4897685 0.5018141 0.5594222
[,76] [,77] [,78] [,79] [,80] [,81]
[1,] 1009.0703280 988.3393082 927.5925995 854.3108557 849.4896883 763.672909
[2,] 0.5594424 0.5745512 0.3713076 0.2822128 0.2811563 0.332432
[,82] [,83] [,84] [,85] [,86] [,87]
[1,] 738.1207224 708.2294848 669.1780292 659.0535777 650.3754765 643.6258422
[2,] 0.2965964 0.3479266 0.3424889 0.3437366 0.3453611 0.3475671
[,88] [,89] [,90] [,91] [,92] [,93]
[1,] 639.2867916 608.9134372 606.0207368 597.3426355 575.1652657 554.4342461
[2,] 0.3486652 0.3862006 0.3862756 0.3868022 0.4241819 0.3849494
[,94] [,95] [,96] [,97] [,98] [,99]
[1,] 548.6488452 545.7561448 532.7389930 525.9893587 520.6860746 512.9722068
[2,] 0.3808092 0.3789953 0.4003526 0.4053872 0.4060613 0.3961025
[,100] [,101] [,102] [,103] [,104] [,105]
[1,] 507.1868060 501.8835219 498.0265880 492.2411872 485.9736696 481.6346190
[2,] 0.3906598 0.3915886 0.3866271 0.3831113 0.3792012 0.3783627
[,106] [,107] [,108] [,109] [,110] [,111]
[1,] 474.8849847 466.2068834 458.9751324 454.1539650 447.404331 441.1368132
[2,] 0.3816927 0.3645852 0.3681395 0.3667162 0.366205 0.3699427
[,112] [,113] [,114] [,115] [,116]
[1,] 432.4587119 428.601778 419.9236768 411.2455756 404.4959413
[2,] 0.3839221 0.370331 0.3974815 0.3757896 0.3871529
[,1] [,2] [,3] [,4] [,5]
[1,] 3432.6711580 3417.7255390 3410.9759050 3407.1189710 3397.9587530
[2,] 0.8540675 0.8687919 0.8731764 0.8765643 0.8812923
[,6] [,7] [,8] [,9] [,10]
[1,] 3389.2806520 3378.6740840 3375.7813830 3368.0675160 3359.3894140
[2,] 0.8816325 0.8782572 0.8779269 0.8731145 0.8654675
[,11] [,12] [,13] [,14] [,15] [,16]
[1,] 3349.7470800 2930.3055200 1456.474659 1417.423203 1368.7294130 1339.802409
[2,] 0.8556609 0.3326072 0.265511 0.308115 0.3216626 0.306296
[,17] [,18] [,19] [,20] [,21] [,22]
[1,] 1152.7411150 1079.9414880 1021.123246 928.0747162 708.2294848 671.5886128
[2,] 0.6842798 0.8890612 1.273242 0.2600728 0.2782019 0.2683707
[,23] [,24] [,25] [,26] [,27] [,28]
[1,] 664.3568618 654.7145271 605.5386201 594.9320519 577.0937326 551.5415457
[2,] 0.2757175 0.2788381 0.3523392 0.3510579 0.4043109 0.3240308
[,29] [,30] [,31] [,32] [,33] [,34]
[1,] 546.7203783 529.3641758 521.1681913 498.0265880 491.7590704 488.3842533
[2,] 0.3209303 0.3645762 0.3448455 0.2933342 0.2853665 0.2835228
[,35] [,36] [,37] [,38]
[1,] 483.0809692 478.7419186 439.2083462 432.940829
[2,] 0.2749126 0.2753651 0.2600005 0.258883
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