workflow4metabolomics / multivariate

PCA, PLS(-DA), and OPLS(-DA)
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Issue with input data files for PLS-DA analysis #13

Open Justin1609 opened 2 years ago

Justin1609 commented 2 years ago

Hi Justin, There are two problems in the files: 1) your dataMatrix should be transposed (i.e. variables as rows) 2) the order of your variables in the dataMatrix and variableMetadata are different ; for this latter issue, it may be corrected automatically by using the checkFormat tool on Workflow4Metabolomics (provided that issue 1 has been addressed) Best, Etienne.

Originally posted by @ethevenot in https://github.com/workflow4metabolomics/multivariate/issues/12#issuecomment-989820336

Hi Etienne,

Sorry to disturb, I am just responding on this, I made the change to the dataMatrix file and then I ran check format tool on all my files but it ended with an error:

https://workflow4metabolomics.usegalaxy.fr/datasets/18c8bf38d300628f/display?to_ext=txt

Error: The following row name(s) is/are duplicated in the dataMatrix table: '120.1644', '63.61643', '545.2837', '120.1644', '120.1644', '74.72406', '357.4638', '1063.303', '833.0723', '72.70449', '1323.828', '1042.098', '717.9569', '1078.45', '556.3913', '56.54794', '1088.548', '607.8904', '315.0528', '1030.99', '223.1624', '262.544', '150.4579', '661.4089', '252.4462', '435.2172', '545.2837', '386.7475', '478.6379', '403.9139', '1030.99', '462.4814', '89.87083', '1484.383', '1034.019', '181.7612', '427.1389', '1346.043', '67.65557', '57.55772', '145.409', '38.37182', '224.1722', '538.2152', '733.1037', '1106.724', '247.3972', '1227.898', '1387.444', '160.5558', '1473.276', '1599.499', '2066.019', '779.5537', '1030.99', '315.0528', '252.4462', '89.87083', '417.0411', '233.2603', '1325.847', '22.21526', '89.87083', '56.54794', '5433.651', '896.6888', '1308.681', '570.5283', '499.8434', '573.5577', '454.4031', '112.0861', '570.5283', '697.7612', '623.0371', '1763.084', '500.8532', '378. Execution halted

Could you please advise what to do so that I can get the format correct and run the analysis correctly.

Thank you for the help thus far.

Kind regards

Justin