Processed analytical data supporting controlled-composition assessment of process-matched calibration for SCFA GC–MS/MS

Description

This dataset contains processed analytical data supporting the study “Composition-dependent surrogate-standard response defines the operating space of process-matched calibration for GC–MS/MS analysis of short-chain fatty acids”. The data cover the diagnostic 2-ethylbutyric acid (2EB) co-injection screen, controlled M1–M6 mixture-composition challenges, comparisons between 2EB-normalised and process-matched calibration routes, calibration-model characteristics, matrix-associated response, spike recovery, intra-day prepared-sample repeatability, pre-vortex handling experiments, and analytical application to faecal filtrates and in vitro colonic-model supernatants. Representative MRM chromatographic trace data and acquisition information are also included. The collection comprises measurement exports and calculated summaries supporting the reported figures and tables. It is a processed-data collection rather than a complete archive of instrument acquisition files. Quantitative results and detection/reporting-status categories should be interpreted separately; missing or non-quantified values must not be treated as zero.

Steps to reproduce

Experimental procedures are described in the associated manuscript. To inspect the processed results, first read the accompanying “Data description”, which provides the file-to-figure/table mapping, variable definitions, units, sample identifiers and calculation conventions. Open the relevant Excel worksheet or CSV file and retain the documented concentration basis and reporting-status categories. Use current result fields rather than historical comparison fields, and distinguish replicate observations from summary rows. This deposit contains processed analytical data and supporting acquisition information, rather than a complete archive of instrument acquisition files.

Institutions

• University of Leeds

  England, Leeds

Categories

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