S3 objects of class peak_table store chromatographic peak data along with
associated metadata and reference spectra.
Components
A peak_table object contains the following elements:
tab: The peak table itself — adata.frameof intensities in a sample × peak configuration.pk_meta: Adata.framecontaining peak metadata (e.g., the spectral component, peak number, and summarized retention time). Seeget_peaktablefor its rows.sample_meta: Adata.frameof sample metadata: the fields added to the chromatograms withchromConverter::add_metadata()(chromConverter 0.11.0 or later), and any attached withattach_metadata.NAif there are none.instrument_meta: Adata.frameof instrumental metadata transferred automatically from the chromatograms.ref_spectra: A matrix of reference spectra (in a wavelength × peak configuration).NAuntil added withattach_ref_spectra.args: A list of the arguments given toget_peaktableto generate the peak table, with the peak list's fitting settings. Seeget_peaktable.
See also
get_peaktable() for creating peak_table objects
Examples
# See get_peaktable() for creation examples
# To access peak_table components:
data(pk_tab)
pk_tab$tab # peak table
#> V1 V2 V3 V4 V5 V6 V7
#> 119 0.000000 5.104960 0.0000000 0.6009758 15.228827 0.4598398 80.38146
#> 121 0.000000 3.989016 0.8661555 0.5518728 7.734209 0.0000000 57.49868
#> 122 3.360145 8.139282 0.9361464 2.0773758 25.864168 2.2679018 59.76982
#> 458 0.000000 5.696499 1.7732372 1.8204290 14.969887 0.2980591 110.89038
#> V8 V9 V10 V11 V12 V13 V14 V15
#> 119 2.909701 42.02479 1.425470 1.561397 2.446028 37.29032 14.016502 33.91009
#> 121 1.080224 18.42549 0.000000 1.021819 8.088705 20.28485 8.652057 22.63074
#> 122 1.164881 36.05080 0.000000 1.552761 4.585314 32.38382 12.627866 28.68807
#> 458 4.284673 33.86360 4.100628 2.969487 5.969776 43.45102 24.337351 25.50186
#> V16 V17 V18 V19 V20 V21 V22
#> 119 4.463381 5.263536 1.9309993 12.848093 14.94647 2.406808 0.000000000
#> 121 1.219043 1.823485 0.1217485 6.788176 12.21597 0.740373 0.007342364
#> 122 2.452972 3.209959 0.5920201 8.346982 14.60876 2.760261 0.000000000
#> 458 5.262720 5.705804 0.4092139 12.684912 15.18446 2.299992 0.000000000
#> V23 V24 V25 V26 V27 V28 V29
#> 119 0.088458294 0.0000000 17.56996 1.7764505 0.0000000 1.2744367 0.8476725
#> 121 0.027751603 0.4036467 14.27335 0.5863850 0.5314740 0.4319262 0.5374353
#> 122 0.080516724 0.0000000 16.53137 0.8943947 1.0992387 0.0000000 1.1170351
#> 458 0.003952009 0.0000000 24.12003 0.9896030 0.9328859 1.4820802 1.5240373
#> V30 V31 V32 V33 V34 V35 V36
#> 119 1.568035 0.9404432 1.450265 0.00000000 0.1798730 0.4618064 0.000000
#> 121 1.087723 0.0000000 1.850937 0.00000000 0.5016980 0.2508542 0.000000
#> 122 1.206059 0.0000000 3.916146 0.09581451 0.5626279 0.3415882 0.000000
#> 458 0.000000 3.3193129 3.663237 0.17479033 0.6311858 0.5666003 1.273513
#> V37 V38 V39 V40 V41 V42 V43
#> 119 6.310695 0.1179606 0.10407311 33.97656 0.2374959 14.947312 0.22590178
#> 121 3.052077 0.0000000 0.20955663 24.44547 0.0000000 6.970268 0.00000000
#> 122 10.800590 0.3624550 0.00000000 25.11021 0.3755614 14.150835 0.04575153
#> 458 7.648649 0.0000000 0.08872707 47.47717 0.0000000 11.236200 0.65648616
#> V44 V45 V46 V47 V48 V49 V50
#> 119 0.3491671 0.9183375 17.38468 5.679228 16.70729 2.3029954 1.2029546
#> 121 0.3245472 1.9025203 10.17233 3.060826 11.48751 0.8001079 0.5176482
#> 122 0.3196491 1.8441580 15.06918 4.870956 14.30769 1.2558211 1.2144860
#> 458 0.5268219 1.4129274 21.30319 9.031779 13.04229 3.0731105 1.8331265
#> V51 V52 V53 V54 V55 V56 V57
#> 119 0.7500667 5.539451 6.469127 0.6080650 0.000000000 0.048444686 7.876207
#> 121 0.1543913 2.919726 5.847089 0.2574450 0.003438554 0.018405963 6.137712
#> 122 0.3322678 3.575422 7.386692 0.9319530 0.004641440 0.034512067 7.472339
#> 458 0.4347048 5.229968 7.191314 0.8277118 0.021059462 0.002494772 10.034184
#> V58 V59 V60 V61 V62
#> 119 0.1794781 0.1284663 0.3020769 0.6494688 0.5903509
#> 121 0.1411927 0.1876941 0.1795083 0.9209173 0.4668942
#> 122 0.2659416 0.1562139 0.0000000 0.9074791 1.3719951
#> 458 0.2412048 0.4952800 0.2994864 0.9530536 1.1664461
pk_tab$pk_meta # peak metadata
#> V1 V2 V3 V4
#> lambda 210.00000000 2.100000e+02 210.00000000 210.00000000
#> peak 1.00000000 2.000000e+00 3.00000000 4.00000000
#> rt 10.02463176 1.063463e+01 10.91670909 11.22100263
#> start 10.00000000 1.040149e+01 10.78497734 11.07033043
#> end 10.40000000 1.082479e+01 11.04093547 11.28256245
#> sd 0.07386828 6.501151e-02 0.07349458 0.06110423
#> tau 0.06291846 -3.103321e-04 0.03407833 0.02330520
#> FWHM 0.17933034 1.533787e-01 0.19236591 0.14566032
#> r.squared 0.98347534 9.926666e-01 0.96600240 0.98032770
#> purity NA NA NA NA
#> window_limited 0.00000000 0.000000e+00 0.00000000 0.00000000
#> converged 1.00000000 1.000000e+00 1.00000000 1.00000000
#> V5 V6 V7 V8
#> lambda 210.00000000 210.00000000 210.000000000 210.000000000
#> peak 5.00000000 6.00000000 7.000000000 8.000000000
#> rt 11.50162105 11.76332557 12.196385329 12.465109291
#> start 11.33531144 11.69904770 11.931785159 12.393655671
#> end 11.69884565 11.92940821 12.394642347 12.542816239
#> sd 0.05487070 0.06339412 0.043719921 0.073675261
#> tau -0.02322171 0.01308693 -0.003829202 -0.009757134
#> FWHM 0.13056470 0.14988918 0.103048386 0.176353835
#> r.squared 0.97887612 0.95415640 0.996350307 0.914510322
#> purity NA NA NA NA
#> window_limited 0.00000000 0.00000000 0.000000000 0.114436816
#> converged 1.00000000 1.00000000 1.000000000 1.000000000
#> V9 V10 V11 V12
#> lambda 210.000000000 210.00000000 210.00000000 210.000000000
#> peak 9.000000000 10.00000000 11.00000000 12.000000000
#> rt 12.711180120 12.98140632 13.16232833 13.492316276
#> start 12.536179487 12.88515905 13.06387451 13.308291112
#> end 12.930938883 13.06515905 13.27667035 13.569676165
#> sd 0.041060283 0.05189821 0.05483748 0.049136604
#> tau -0.005457843 0.01547089 0.01844964 -0.006700982
#> FWHM 0.096901169 0.12575628 0.13108876 0.115850731
#> r.squared 0.993129967 0.98628869 0.98663264 0.974502784
#> purity NA NA NA NA
#> window_limited 0.000000000 0.00000000 0.00000000 0.000000000
#> converged 1.000000000 1.00000000 1.00000000 1.000000000
#> V13 V14 V15 V16
#> lambda 210.00000000 210.00000000 210.000000000 210.000000000
#> peak 13.00000000 14.00000000 15.000000000 16.000000000
#> rt 13.76773722 13.95509902 14.412531365 14.761817999
#> start 13.54823271 13.86713687 14.123897438 14.627972068
#> end 13.86789576 14.12346141 14.597775062 14.852144090
#> sd 0.05171343 0.04704940 0.037505615 0.045831522
#> tau -0.02256244 -0.01390409 -0.001285301 -0.009930782
#> FWHM 0.12291527 0.11124473 0.088362742 0.108840287
#> r.squared 0.96014810 0.99167941 0.993678229 0.957094409
#> purity NA NA NA NA
#> window_limited 0.00000000 0.00000000 0.000000000 0.000000000
#> converged 1.00000000 1.00000000 1.000000000 1.000000000
#> V17 V18 V19 V20
#> lambda 210.000000000 210.00000000 210.00000000 210.000000000
#> peak 17.000000000 18.00000000 19.00000000 20.000000000
#> rt 14.986478939 15.29682397 15.51879888 15.748212470
#> start 14.857473117 15.18387704 15.32837034 15.635246903
#> end 15.164624564 15.34768590 15.62519376 15.896962186
#> sd 0.058172955 0.04898832 0.05670641 0.042353072
#> tau -0.007224887 -0.04176066 -0.00359903 -0.008869758
#> FWHM 0.141341473 0.12015225 0.13373405 0.101340329
#> r.squared 0.902596007 0.92708173 0.95958085 0.971014918
#> purity NA NA NA NA
#> window_limited 0.000000000 0.00000000 0.00000000 0.000000000
#> converged 1.000000000 1.00000000 1.00000000 1.000000000
#> V21 V22 V23 V24
#> lambda 210.000000000 210.000000000 2.100000e+02 2.100000e+02
#> peak 21.000000000 22.000000000 2.300000e+01 2.400000e+01
#> rt 16.007540483 16.210919029 1.646217e+01 1.658152e+01
#> start 15.906125236 16.160000000 1.635052e+01 1.648000e+01
#> end 16.209243177 16.300000000 1.652934e+01 1.664000e+01
#> sd 0.040825671 0.005766142 2.708425e-02 3.277693e-02
#> tau -0.008519355 -0.000113265 9.344486e-03 4.795892e-03
#> FWHM 0.096477766 0.013578453 6.424498e-02 7.725532e-02
#> r.squared 0.989184259 -0.498287553 5.545446e-01 9.907721e-01
#> purity NA NA NA NA
#> window_limited 0.000000000 0.000000000 0.000000e+00 0.000000e+00
#> converged 1.000000000 1.000000000 9.803068e-01 1.000000e+00
#> V25 V26 V27 V28 V29
#> lambda 210.000000000 210.00000000 210.00000000 210.0000000 210.0000000
#> peak 25.000000000 26.00000000 27.00000000 28.0000000 29.0000000
#> rt 16.787402999 17.05366287 17.37354914 17.5778942 17.8037892
#> start 16.519763085 16.97680274 17.25237022 17.4147447 17.6627946
#> end 16.962380106 17.22109357 17.44575994 17.6865578 17.8411656
#> sd 0.044344433 0.06410623 0.08313427 0.1305282 0.1179726
#> tau -0.004197194 0.03575361 -0.02065861 0.0267348 -0.2758581
#> FWHM 0.104563465 0.15560220 0.19720120 0.3084274 0.3711102
#> r.squared 0.996920867 0.88300086 0.88863623 0.8840535 0.9286037
#> purity NA NA NA NA NA
#> window_limited 0.000000000 0.00000000 0.00000000 0.0000000 0.2366357
#> converged 1.000000000 1.00000000 1.00000000 1.0000000 1.0000000
#> V30 V31 V32 V33 V34
#> lambda 210.00000000 210.0000000 210.0000000 260.00000000 260.00000000
#> peak 30.00000000 31.0000000 32.0000000 1.00000000 2.00000000
#> rt 18.02560443 18.2053504 18.4973977 10.22939222 10.54087550
#> start 17.90922315 17.9218167 18.1734697 10.16708151 10.39399987
#> end 18.11246491 18.2376619 18.5312662 10.39291849 10.71213319
#> sd 0.15194746 0.1838487 0.1589711 0.10090747 0.05688985
#> tau -0.08209374 -1.2522912 -0.7624286 -0.09791253 0.03834493
#> FWHM 0.53585554 0.9886832 0.6580754 0.24914095 0.13745058
#> r.squared 0.91130923 0.8932992 0.9561621 0.95577977 0.97690654
#> purity NA NA NA NA NA
#> window_limited 0.38597357 0.2207740 0.0000000 0.00000000 0.00000000
#> converged 1.00000000 1.0000000 1.0000000 1.00000000 1.00000000
#> V35 V36 V37 V38
#> lambda 260.00000000 260.00000000 260.00000000 260.000000000
#> peak 3.00000000 4.00000000 5.00000000 6.000000000
#> rt 10.87501250 11.23675444 11.51756460 11.721948419
#> start 10.69623249 11.06000000 11.13596463 11.664910773
#> end 11.06731027 11.30000000 11.71840338 11.880356909
#> sd 0.08107592 0.05484803 0.05345022 0.058116060
#> tau -0.05758658 0.02251891 -0.03453644 -0.007358241
#> FWHM 0.19525066 0.13009701 0.12860891 0.136983091
#> r.squared 0.96140202 0.99495507 0.97490104 0.990800490
#> purity NA NA NA NA
#> window_limited 0.00000000 0.00000000 0.00000000 0.000000000
#> converged 1.00000000 1.00000000 1.00000000 1.000000000
#> V39 V40 V41 V42
#> lambda 260.00000000 260.000000000 260.000000000 2.600000e+02
#> peak 7.00000000 8.000000000 9.000000000 1.000000e+01
#> rt 11.91334566 12.196218954 12.453138378 1.271147e+01
#> start 11.80517317 11.943313076 12.418739591 1.254846e+01
#> end 11.95482683 12.497288611 12.543243755 1.291795e+01
#> sd 0.04336064 0.042858840 0.053571686 3.654370e-02
#> tau 0.01293717 -0.002906069 -0.005485234 1.030993e-03
#> FWHM 0.10256915 0.101001248 0.126416151 8.606074e-02
#> r.squared 0.97383277 0.998334746 0.989031705 9.978552e-01
#> purity NA NA NA NA
#> window_limited 0.00000000 0.000000000 0.000000000 0.000000e+00
#> converged 1.00000000 1.000000000 1.000000000 1.000000e+00
#> V43 V44 V45 V46
#> lambda 2.600000e+02 260.00000000 260.000000000 260.000000000
#> peak 1.100000e+01 12.00000000 13.000000000 14.000000000
#> rt 1.297822e+01 13.15328340 13.477883560 13.767202958
#> start 1.290296e+01 13.03464044 13.276552972 13.549547092
#> end 1.306585e+01 13.27526100 13.558781225 13.877743649
#> sd 4.256244e-02 0.04656548 0.054118311 0.046082097
#> tau 5.523719e-03 -0.01706913 -0.003641905 -0.004396061
#> FWHM 1.018081e-01 0.11117929 0.128616422 0.108626163
#> r.squared 9.869656e-01 0.96591174 0.978681019 0.976552633
#> purity NA NA NA NA
#> window_limited 0.000000e+00 0.00000000 0.000000000 0.000000000
#> converged 1.000000e+00 1.00000000 1.000000000 1.000000000
#> V47 V48 V49 V50
#> lambda 260.00000000 260.000000000 2.600000e+02 260.00000000
#> peak 15.00000000 16.000000000 1.700000e+01 18.00000000
#> rt 13.95417601 14.408916003 1.473129e+01 14.94054064
#> start 13.87768721 14.154981711 1.462699e+01 14.86163713
#> end 14.11928607 14.578176303 1.482310e+01 15.15633476
#> sd 0.04911135 0.037578970 4.874243e-02 0.06268091
#> tau -0.01365731 -0.004300779 4.901534e-03 0.04290406
#> FWHM 0.11631890 0.088593045 1.173486e-01 0.15147541
#> r.squared 0.99155999 0.988748407 9.527634e-01 0.94266056
#> purity NA NA NA NA
#> window_limited 0.00000000 0.000000000 0.000000e+00 0.00000000
#> converged 1.00000000 1.000000000 1.000000e+00 1.00000000
#> V51 V52 V53 V54
#> lambda 2.600000e+02 260.000000000 260.00000000 260.000000000
#> peak 1.900000e+01 20.000000000 21.00000000 22.000000000
#> rt 1.528003e+01 15.522190281 15.75310337 16.003984021
#> start 1.517480e+01 15.364141919 15.61978023 15.910059301
#> end 1.536398e+01 15.625310014 15.90976688 16.207119841
#> sd 5.206264e-02 0.052658272 0.03962212 0.037195947
#> tau 2.788754e-05 -0.003075728 -0.01322630 -0.002695763
#> FWHM 1.246047e-01 0.124131874 0.09406566 0.087616383
#> r.squared 9.710209e-01 0.963915665 0.97482686 0.992701282
#> purity NA NA NA NA
#> window_limited 0.000000e+00 0.000000000 0.00000000 0.000000000
#> converged 1.000000e+00 1.000000000 1.00000000 1.000000000
#> V55 V56 V57 V58 V59
#> lambda 260.00000000 2.600000e+02 260.000000000 260.0000000 260.0000000
#> peak 23.00000000 2.400000e+01 25.000000000 26.0000000 27.0000000
#> rt 16.24320018 1.645880e+01 16.788230010 17.1017561 17.3761405
#> start 16.14873141 1.634176e+01 16.548891956 17.0405658 17.2513238
#> end 16.32082561 1.655047e+01 17.024150690 17.2184068 17.4621632
#> sd 0.02031398 2.622750e-02 0.042302077 0.1182783 0.1290806
#> tau 0.00210217 4.611564e-03 -0.005676198 0.3220314 0.1332182
#> FWHM 0.04817877 6.190360e-02 0.099758321 0.4058679 0.4541995
#> r.squared 0.06252869 6.934492e-01 0.996706378 0.8451106 0.8549517
#> purity NA NA NA NA NA
#> window_limited 0.00000000 0.000000e+00 0.000000000 0.1212741 0.2051633
#> converged 0.84071632 1.000000e+00 1.000000000 1.0000000 1.0000000
#> V60 V61 V62
#> lambda 260.0000000 260.0000000 260.0000000
#> peak 28.0000000 29.0000000 30.0000000
#> rt 17.6515959 18.0521913 18.4976685
#> start 17.4923314 17.7340021 18.1735376
#> end 17.6955362 18.1439448 18.5303791
#> sd 0.1610221 0.2110014 0.1231652
#> tau -0.2947078 0.6121412 -0.6679346
#> FWHM 0.4411930 1.0627922 0.5798850
#> r.squared 0.9507237 0.8402313 0.9421936
#> purity NA NA NA
#> window_limited 0.0000000 0.4452157 0.0000000
#> converged 1.0000000 1.0000000 1.0000000
pk_tab$sample_meta # sample metadata
#> [1] NA