Deliverables

The delivery includes both annotated analytes and unknown features. The data is delivered as matrices which contain non-normalized and normalized intensities.

1. The data is delivered as normalized and non-normalized data matrices, where rows are detected features characterized by mass-to-charge ratio, columns are samples and values are intensities of features which enable relative quantitation.

  • The data is delivered as tab-delimited files which can be opened in excel.
  • We provide following information about compounds that have been annotated using metaSysX database: compound name, chemical formula, detected ion, deviation of the retention time of a detected feature from retention time of the marched reference compound present in metaSysX database, the mass-to-charge ratio deviation of a detected compound from of the matched mass-to-charge ratio of a reference compound present in metaSysX database. For GC-MS analysed samples, the deviation of retention index is provided and the nominal mass of the fragment used for quantitation.

2. Methods Report as PDF with a description of used methods, information about measurements and analysis performed.

3. Tab delimited file with information about extraction and measurements order.

4. Access to interactive online statistical tool where the data generated in metaSysX is uploaded in the proper format for visualization and statistical analysis.

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