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Downloads

Every file the analysis produced. Click a file name to download it, or Download all (.zip) for the whole set.

The Downloads tab
The Downloads tab for the demo analysis.

Output files

Most files are named after the peak table (<name> below) and are indexed by feature ID, m/z and retention time.

File Contents
<name>_formatted.csv The peak table converted to MPACT's internal layout
<name>_merged.csv The formatted table with mispicked peaks merged into their parents (when Merge Peaks is on)
<name>_filtered.csv The table after every filter
<name>_groupaverages.csv Average abundance of each feature in each group, in long format
<name>_summarydata.csv Every group statistic in wide format: average abundance per group, biological and technical relative standard deviations and n, the combined uncertainty, and the effective n (Welch-Satterthwaite)
iondict.csv One row per feature, including those removed by filters: m/z, retention time, mass defect, which filters it passed, median CV, groups detected in, maximum abundance, fold change, −log p, −log q and database hit count
analysisinfo.txt Run summary and every parameter, as shown on the Data Review tab
<name>.mpct Session file with the input files and settings
<name>_filtered_source.csv The original peak table, cut down to the features that passed filtering
<name>_reindexed.msp / .mgf The fragment database renumbered to match the filtered peak table

The re-indexed fragment file is written only when a fragment database was supplied.

Session files

The .mpct file holds the input files and every setting. Open it with Open session file... on File Selection to set the same analysis up again, here or on another MPACT server. It also opens in the MPACT desktop app.

GNPS2 files

GNPS2 feature-based molecular networking needs a peak table and a fragment file whose entries are in the same order. _filtered_source and _reindexed are that pair, already matched, so they can be uploaded to GNPS2 as they are.

Peak tables from MZmine, MS-DIAL and Metaboscape are converted to the Progenesis layout at the start of each run, so for those _filtered_source is in the Progenesis layout too. Choose Progenesis as the input format in GNPS2.