The Pierre Fabre (PF) laboratories collection, which is among the largest collection of plant samples worldwide with over 17,000 unique samples, was registered on 1 April 2020 at the European Commission under the accession number 03-FR-2020. This whole collection is certainly too large to be processed at once by any analytical method. Subsets of this collection, hereafter named “PFcode collections” where defined during the project. The first one, “PFCode_1600”, was subjected to initial screening and description (doi:10.1093/gigascience/giac124). Subsequent sets were decided during the time course of the project. Table 1 describes these collections and provides access to their members which were named PFcode. PFcodes are collection batches annotated with plant taxonomy and plant part (flower, leaves…)., Note that the same plant species and part could have been collected several times under different PFcodes. Our interdisciplinary project involved different types of analyses: chemical (LC-MS), bioassay and in-silico. Most of them are, however, focused on a particular PFcode collection. The instrumentation, the software and the biological material (i.e. cell lines) have been evolving during this project, progressively improving. We thought that the best way to keep track of this situation was by defining an “Assay batch” as a set of results obtained by someone in a lab at a given time, with a defined instrumentation, software and biological material and assay protocol. A sample is a physical entity (for example a powder in a test tube), which can be submitted for an analysis or further processed (fractionated, extracted) to yield new (derived) sample. The different assay batches can be related by tracking the processing of the samples they document.

1 Collections of PF codes

This table shows the various PF codes collections, their descriptions and the number of PF codes in each.

3 Assay batches, PF codes, samples and assays

This table shows the number of PF codes, samples and assays for each analysis run.

4 Measurements per analysis run

This table gives the details of all assays in the assay batches. jlw:has_assay_result_value is the total number of measurements for one run.

5 List of chemical entities

6 Persons

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