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 x peak configuration.pk_meta: Adata.framecontaining peak meta-data (e.g., the spectral component, peak number, and average retention time).sample_meta: Adata.frameof sample meta-data. Must be added usingattach_metadata.instrument_meta: Adata.frameof instrumental metadata transferred automatically from the chromatograms.ref_spectra: Adata.frameof reference spectra (in a wavelength x peak configuration). Must be added usingattach_ref_spectra.args: A vector of arguments given toget_peaktableto generate the peak table.
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 V8
#> 119 0.000000 5.111190 0.0000000 0.5864823 1.858693 15.079233 0.000000 0.4135257
#> 121 0.000000 4.033081 0.9163944 0.5221266 0.000000 7.705485 0.000000 0.0000000
#> 122 3.368245 8.228498 0.9735932 0.0000000 1.963956 25.888893 0.000000 1.8394472
#> 458 0.000000 5.655876 1.8309616 0.0000000 1.735467 14.650605 1.459654 0.3488550
#> V9 V10 V11 V12 V13 V14 V15 V16
#> 119 79.71546 2.637016 41.60604 1.724824 1.3743838 2.273449 36.58533 15.189655
#> 121 57.27332 1.042586 18.33105 0.000000 0.8614246 7.504094 20.56684 8.879872
#> 122 59.62042 1.417466 35.83855 0.000000 1.2422142 4.241067 31.60616 12.910084
#> 458 108.93550 4.157266 33.22952 3.405194 3.1656321 5.231752 42.99198 23.968663
#> V17 V18 V19 V20 V21 V22 V23
#> 119 33.71629 4.186043 3.890605 1.7999191 12.435065 15.09572 2.5155590
#> 121 22.59679 1.169449 1.750044 0.1143296 6.619292 12.54686 0.7921663
#> 122 28.40685 2.232165 3.037413 0.4855545 7.976247 14.88744 2.7807659
#> 458 25.33267 5.011990 5.348641 0.2741214 12.648599 15.42859 2.3459283
#> V24 V25 V26 V27 V28 V29 V30
#> 119 0.00000000 0.11261310 17.80024 2.0024282 0.0000000 0.7981487 0.8774407
#> 121 0.01374328 0.43874747 14.41614 0.6184847 0.5505384 0.4542899 0.5315334
#> 122 0.01900430 0.11078837 16.60867 0.9699587 1.2199894 1.2251103 0.8634827
#> 458 0.00512731 0.02601551 24.77821 1.0894581 1.0049019 1.5687582 1.7486409
#> V31 V32 V33 V34 V35 V36 V37
#> 119 1.819662 1.023753 1.541590 0.0000000 0.2105941 0.5041651 0.0000000
#> 121 1.085835 0.000000 1.811022 0.0000000 0.5440478 0.2934669 0.0000000
#> 122 1.288960 0.000000 4.117218 0.1280478 0.5797748 0.3649663 0.3092246
#> 458 1.459723 1.647317 3.730485 0.2736762 0.7127212 0.6514810 1.2365541
#> V38 V39 V40 V41 V42 V43 V44
#> 119 6.242450 0.1046104 0.09932078 33.73408 0.2558299 14.841595 0.00000000
#> 121 3.050482 0.0000000 0.18110972 24.36583 0.0000000 6.941289 0.03897730
#> 122 10.765649 0.3733894 0.00000000 25.07887 0.3773357 14.120471 0.03016515
#> 458 6.334782 0.0000000 0.07382435 46.69780 0.7167379 11.020983 0.53962131
#> V45 V46 V47 V48 V49 V50 V51
#> 119 0.3332010 0.8899389 17.233670 5.787408 16.64689 0.0000000 2.2440655
#> 121 0.2602469 1.8268337 9.926202 3.454176 11.45662 0.1379431 0.6169497
#> 122 0.2959381 1.7424893 15.098178 4.611476 14.23811 0.7083038 1.2207243
#> 458 0.5018852 0.7439920 20.859029 9.333014 12.98416 0.6251158 2.9728078
#> V52 V53 V54 V55 V56 V57 V58
#> 119 1.1409371 0.7426509 5.373707 6.566692 0.6187750 0.000000000 0.059937260
#> 121 0.4724857 0.1286407 2.819725 5.966240 0.2620172 0.002892882 0.023415605
#> 122 1.1684493 0.2942327 3.438104 7.081215 0.9350599 0.004187678 0.041697073
#> 458 1.6551325 0.3717944 5.200684 7.292224 0.8231769 0.023957666 0.005351955
#> V59 V60 V61 V62 V63 V64 V65
#> 119 7.973773 0.1983225 0.1705325 0.3076778 0.6844486 0.5443093 0.6178561
#> 121 6.195397 0.1066713 0.2107139 0.1992947 0.9549370 0.0000000 0.4778106
#> 122 7.488124 0.2845064 0.1666236 0.0000000 0.9325107 0.0000000 1.2312923
#> 458 10.299617 0.2704478 0.3546083 0.3774084 0.5895916 0.6156869 1.3281371
pk_tab$pk_meta # peak metadata
#> V1 V2 V3 V4 V5 V6 V7 V8 V9 V10
#> lambda 210.00 210.00 210.00 210.00 210.00 210.00 210.00 210.00 210.00 210.00
#> peak 1.00 2.00 3.00 4.00 5.00 6.00 7.00 8.00 9.00 10.00
#> rt 10.02 10.63 10.92 11.13 11.27 11.49 11.62 11.80 12.18 12.47
#> start 10.00 10.40 10.81 11.02 11.11 11.32 11.62 11.74 11.91 12.40
#> end 10.36 10.82 11.04 11.21 11.31 11.63 11.74 11.87 12.38 12.52
#> sd 0.07 0.07 0.10 0.04 0.05 0.05 0.07 0.06 0.04 0.05
#> tau 0.08 0.00 -0.07 0.00 0.01 -0.04 -0.03 -0.13 -0.01 -0.16
#> FWHM 0.16 0.15 0.23 0.10 0.12 0.12 0.17 0.13 0.10 0.12
#> r.squared 0.99 1.00 0.98 0.99 1.00 0.97 0.99 0.85 1.00 0.83
#> purity NA NA NA NA NA NA NA NA NA NA
#> V11 V12 V13 V14 V15 V16 V17 V18 V19 V20
#> lambda 210.00 210.00 210.00 210.00 210.00 210.00 210.00 210.00 210.00 210.00
#> peak 11.00 12.00 13.00 14.00 15.00 16.00 17.00 18.00 19.00 20.00
#> rt 12.69 12.93 13.16 13.47 13.76 13.95 14.44 14.75 14.99 15.26
#> start 12.54 12.86 13.03 13.30 13.53 13.84 14.23 14.62 14.90 15.16
#> end 12.91 13.04 13.27 13.53 13.84 14.09 14.58 14.84 15.12 15.30
#> sd 0.04 0.11 0.07 0.04 0.05 0.05 0.05 0.05 0.05 0.04
#> tau -0.01 -0.21 -0.02 -0.02 -0.03 -0.03 -0.02 -0.02 -0.05 -0.12
#> FWHM 0.10 0.27 0.15 0.10 0.12 0.12 0.12 0.11 0.11 0.10
#> r.squared 1.00 0.97 0.92 0.99 0.97 0.96 0.89 0.96 0.90 0.91
#> purity NA NA NA NA NA NA NA NA NA NA
#> V21 V22 V23 V24 V25 V26 V27 V28 V29 V30
#> lambda 210.00 210.00 210.00 210.00 210.00 210.00 210.00 210.00 210.00 210.00
#> peak 21.00 22.00 23.00 24.00 25.00 26.00 27.00 28.00 29.00 30.00
#> rt 15.51 15.72 16.00 16.19 16.47 16.78 17.04 17.36 17.62 17.86
#> start 15.30 15.61 15.88 16.14 16.37 16.55 16.97 17.24 17.50 17.72
#> end 15.60 15.84 16.16 16.26 16.51 16.95 17.19 17.42 17.68 17.88
#> sd 0.05 0.04 0.04 0.02 0.03 0.04 0.09 0.07 0.11 0.05
#> tau -0.01 -0.01 -0.02 0.00 0.00 0.00 -0.06 -0.12 -0.24 -0.80
#> FWHM 0.12 0.10 0.10 0.05 0.07 0.10 0.21 0.17 0.26 0.12
#> r.squared 0.98 0.78 0.97 0.70 0.99 1.00 0.83 0.88 0.92 0.91
#> purity NA NA NA NA NA NA NA NA NA NA
#> V31 V32 V33 V34 V35 V36 V37 V38 V39 V40
#> lambda 210.00 210.00 210.00 260.00 260.00 260.00 260.00 260.00 260.00 260.00
#> peak 31.00 32.00 33.00 1.00 2.00 3.00 4.00 5.00 6.00 7.00
#> rt 18.06 18.24 18.50 10.22 10.55 10.88 11.26 11.49 11.72 11.90
#> start 17.92 18.12 18.20 10.18 10.39 10.70 11.06 11.24 11.65 11.79
#> end 18.11 18.28 18.53 10.38 10.70 11.04 11.30 11.66 11.83 11.94
#> sd 0.17 0.18 0.09 0.13 0.06 0.09 0.05 0.04 0.07 0.04
#> tau -0.92 -1.23 -0.80 -0.14 0.03 -0.07 0.01 -0.04 -0.04 -0.01
#> FWHM 0.39 0.43 0.22 0.30 0.15 0.21 0.13 0.10 0.15 0.09
#> r.squared 0.86 0.83 0.94 0.98 0.98 0.98 1.00 0.98 0.95 0.93
#> purity NA NA NA NA NA NA NA NA NA NA
#> V41 V42 V43 V44 V45 V46 V47 V48 V49 V50
#> lambda 260.00 260.00 260.00 260.00 260.00 260.00 260.00 260.00 260.00 260.00
#> peak 8.00 9.00 10.00 11.00 12.00 13.00 14.00 15.00 16.00 17.00
#> rt 12.18 12.44 12.72 13.01 13.16 13.45 13.76 13.96 14.35 14.58
#> start 11.93 12.41 12.59 12.89 13.06 13.30 13.53 13.99 14.15 14.53
#> end 12.43 12.53 12.92 13.02 13.24 13.51 13.86 14.20 14.44 14.65
#> sd 0.04 0.10 0.08 0.04 0.14 0.05 0.05 0.05 0.04 0.13
#> tau 0.00 -0.16 -0.17 0.00 -15.28 -0.05 -0.01 0.05 -0.02 -0.30
#> FWHM 0.10 0.23 0.20 0.09 0.33 0.11 0.11 0.11 0.09 0.30
#> r.squared 1.00 0.94 0.99 0.97 0.75 0.97 0.99 0.94 0.99 0.55
#> purity NA NA NA NA NA NA NA NA NA NA
#> V51 V52 V53 V54 V55 V56 V57 V58 V59 V60
#> lambda 260.00 260.00 260.00 260.00 260.00 260.00 260.00 260.00 260.00 260.00
#> peak 18.00 19.00 20.00 21.00 22.00 23.00 24.00 25.00 26.00 27.00
#> rt 14.75 14.95 15.26 15.54 15.75 16.00 16.23 16.43 16.78 17.10
#> start 14.64 14.87 15.15 15.40 15.62 15.89 16.15 16.34 16.53 17.04
#> end 14.84 15.12 15.35 15.61 15.89 16.15 16.30 16.51 17.02 17.19
#> sd 0.04 0.06 0.06 0.05 0.04 0.04 0.02 0.03 0.04 0.09
#> tau -0.02 0.02 -0.01 -0.01 -0.01 -0.01 -0.01 0.00 -0.01 -0.23
#> FWHM 0.10 0.15 0.14 0.11 0.09 0.09 0.04 0.06 0.10 0.22
#> r.squared 0.96 0.93 0.93 0.84 0.98 0.97 0.97 1.00 1.00 0.75
#> purity NA NA NA NA NA NA NA NA NA NA
#> V61 V62 V63 V64 V65
#> lambda 260.00 260.00 260.00 260.00 260.00
#> peak 28.00 29.00 30.00 31.00 32.00
#> rt 17.35 17.66 18.00 18.21 18.48
#> start 17.26 17.50 17.69 18.08 18.20
#> end 17.40 17.70 18.06 18.29 18.54
#> sd 0.15 0.13 0.11 0.28 0.17
#> tau -1.31 -0.54 -0.48 -0.85 -0.28
#> FWHM 0.35 0.31 0.26 0.65 0.40
#> r.squared 0.75 0.94 0.94 0.70 0.84
#> purity NA NA NA NA NA
pk_tab$sample_meta # sample metadata
#> [1] NA