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  1. Jalview
  2. JAL-1262

add scree plot and variance report for PCA components

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    Details

    • Type: New Feature
    • Status: Open
    • Priority: Major
    • Resolution: Unresolved
    • Affects Version/s: None
    • Fix Version/s: None
    • Component/s: analysis
    • Labels:

      Description

      The Jalview PCA function doesn't give any of the standard diagnostics needed to understand the result of PCA analysis.

      At the very least, a scree plot and some summary of the top N most informative components (i.e. that have a scaled magnitude of 1 or more) should be included in the report, and the GUI could be limited to just those components.
      e.g. see the following output when using R to analyse the SeqSpace matrix generated for the example alignment:

      <pre>

      > m <- read.table(file="/Users/jimp/Documents/Jalview/JessicaRichard/pcaDemo_fer.Rd", sep=' ',header=FALSE)
      > print(m)
          V1 V2 V3 V4 V5 V6 V7 V8 V9 V10 V11 V12 V13 V14 V15
      1 157 109 92 93 82 80 82 81 129 77 132 74 54 77 82
      2 109 157 128 128 95 97 99 91 81 98 84 94 74 83 80
      3 92 128 157 151 101 98 107 96 85 103 87 98 79 89 85
      4 93 128 151 157 103 99 105 95 84 101 87 97 78 87 83
      5 82 95 101 103 157 124 100 90 82 103 83 104 81 95 90
      6 80 97 98 99 124 157 103 92 77 102 80 101 80 91 85
      7 82 99 107 105 100 103 157 117 85 106 87 106 85 88 89
      8 81 91 96 95 90 92 117 157 81 96 82 89 69 84 85
      9 129 81 85 84 82 77 85 81 157 100 152 91 71 83 92
      10 77 98 103 101 103 102 106 96 100 157 98 138 115 91 95
      11 132 84 87 87 83 80 87 82 152 98 157 90 69 84 91
      12 74 94 98 97 104 101 106 89 91 138 90 157 127 89 92
      13 54 74 79 78 81 80 85 69 71 115 69 127 157 68 72
      14 77 83 89 87 95 91 88 84 83 91 84 89 68 157 103
      15 82 80 85 83 90 85 89 85 92 95 91 92 72 103 157

      > p_m <- prcomp(m, scale=TRUE,center=TRUE)
      > print(p_m)
      Standard deviations:
       [1] 2.165472e+00 1.845833e+00 1.460628e+00 1.177353e+00 1.095638e+00 9.504232e-01 7.090474e-01 5.251139e-01
       [9] 5.018949e-01 4.164572e-01 2.237328e-01 1.401649e-01 6.698598e-02 4.788474e-02 6.858450e-17

      Rotation:
                   PC1 PC2 PC3 PC4 PC5 PC6 PC7 PC8
      V1 -0.372384318 -0.24286620 0.16580470 -0.034052285 0.19344361 -0.06912293 0.0041315227 -0.000162841
      V2 0.126543560 -0.43889058 0.20207618 -0.168608165 -0.13578841 -0.03775281 0.0591315847 -0.127933215
      V3 0.204288055 -0.41663933 0.16869970 -0.139637494 -0.20004490 -0.21542714 -0.0132673062 0.031720345
      V4 0.200714196 -0.42421366 0.17010633 -0.157141334 -0.16753375 -0.18791855 -0.0002053613 0.015860798
      V5 0.264124227 -0.06548596 -0.21191321 -0.275837278 0.54238743 -0.08119972 0.0826726746 -0.080453186
      V6 0.283613080 -0.07850084 -0.19765136 -0.175801192 0.56167737 0.03934542 0.0797995375 0.016227136
      V7 0.266119000 -0.12599761 -0.02501376 0.533819156 0.11619838 -0.23903980 -0.0532599860 0.716070157
      V8 0.143541675 -0.16520454 -0.14515545 0.690476414 0.04754732 -0.04519917 -0.0488477269 -0.589364014
      V9 -0.397033486 0.01777164 0.20368663 0.033716792 0.23763306 -0.31037852 -0.0968846796 0.020267547
      V10 0.248466929 0.27771797 0.29875454 -0.001012087 0.06434316 -0.46759959 -0.1087073033 -0.306804609
      V11 -0.398697485 -0.01552172 0.19705986 0.031075187 0.25120859 -0.29603741 -0.1065640194 0.044929663
      V12 0.278398155 0.32519593 0.28541681 -0.050328673 0.02968275 -0.25776051 -0.0640469523 -0.037770263
      V13 0.237504350 0.36764292 0.32032938 -0.062704968 -0.12756067 0.16095752 0.0155301470 0.130075797
      V14 0.003727431 0.04314816 -0.50635276 -0.212435338 -0.21149426 -0.27819819 -0.7150301929 0.022247444
      V15 -0.097038641 0.14410858 -0.39820511 -0.061722711 -0.25500837 -0.52190581 0.6555254956 0.011537079
                  PC9 PC10 PC11 PC12 PC13 PC14 PC15
      V1 0.28010345 0.202453844 -0.26093163 -0.675877588 -0.0508877837 0.04627735 -0.2870665017
      V2 0.61064322 0.279872164 0.14263759 0.443541597 0.0061725346 0.03052172 -0.1145128967
      V3 -0.32081446 -0.191514482 -0.06477903 -0.073431036 -0.6925215730 0.13480757 0.0465129970
      V4 -0.33581684 -0.169097091 -0.11135775 -0.099820026 0.6854337583 -0.13315197 -0.1058972377
      V5 -0.35077470 0.594607831 0.07876288 0.039363875 -0.0264048649 0.03583492 -0.0673478716
      V6 0.29557242 -0.634160432 -0.09789227 0.021761973 -0.0184100181 0.01431965 -0.1401618039
      V7 0.11555660 0.131110669 0.09770957 -0.029908473 0.0165013157 -0.01497227 -0.0002118365
      V8 -0.08018785 0.001804577 -0.16250092 0.066249666 -0.0165624021 0.06870677 -0.2408565161
      V9 -0.14526121 -0.088555425 0.04813986 0.333927033 -0.1438394170 -0.63535946 -0.2639749761
      V10 0.14876682 -0.066560627 0.53804856 -0.326222539 0.0345595039 -0.01344639 0.1388935014
      V11 -0.11832676 -0.103633527 -0.01059660 0.300862397 0.1515187945 0.70171114 0.0784512129
      V12 0.13737722 0.135985067 -0.73715065 0.109320875 -0.0057064995 -0.08029849 0.2463923728
      V13 -0.10321630 0.005120743 0.02312357 0.056846222 -0.0388277762 0.21633756 -0.7614407674
      V14 0.10803144 0.026552757 -0.06159214 0.001607315 0.0001935581 0.04703112 -0.2105499870
      V15 0.06589523 -0.016300377 -0.05988970 0.012877498 0.0013171378 0.05355025 -0.1701400503

      > summary(p_m)
      Importance of components:
                                PC1 PC2 PC3 PC4 PC5 PC6 PC7 PC8 PC9 PC10 PC11
      Standard deviation 2.1655 1.8458 1.4606 1.17735 1.09564 0.95042 0.70905 0.52511 0.50189 0.41646 0.22373
      Proportion of Variance 0.3126 0.2271 0.1422 0.09241 0.08003 0.06022 0.03352 0.01838 0.01679 0.01156 0.00334
      Cumulative Proportion 0.3126 0.5398 0.6820 0.77440 0.85443 0.91465 0.94816 0.96655 0.98334 0.99490 0.99824
                                PC12 PC13 PC14 PC15
      Standard deviation 0.14016 0.06699 0.04788 6.858e-17
      Proportion of Variance 0.00131 0.00030 0.00015 0.000e+00
      Cumulative Proportion 0.99955 0.99985 1.00000 1.000e+00
      </pre>


      Inspired by thread from Jessica Richard over at: http://www.jalview.org/pipermail/jalview-discuss/2013-January/000908.html

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              Assignee:
              jprocter James Procter
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              jprocter James Procter
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