Quanto user guideAll documentation

Sample review

Use this when you walk the batch one injection at a time.

View → Samples and results → Samples is the list. Sample details shows the open sample. The navigator filters by sample type, sample group, acquisition key, and sample key. The type column shows the sample-type name, coloured by type. Settings → Appearance… → Show sample type symbols adds the type symbol in front of that name. It is off until you turn it on. Arrow through the list or use the record navigation in the grid.

Peaks and qualifiers

Results and Result details show each analyte on that sample: the peak, the quant, the qualifiers, and the flags. Open the chromatogram for the row. Qualifier ions are on the qualifier plot. A red mark on the review tile means an ion-ratio failure, a retention-time failure, or both. See Qualifiers and Peak identification.

Manual integration and excluding a result

Drag the baseline on the chromatogram to integrate by hand. Analyze → Reset manual integration → Selected samples restores the automatic peaks for the samples you selected.

Reject a result to drop it from the reported quant and from the sample-key pick. Reject the sample to drop every result on it from the automatic sample-key report. You can type a reject reason. Pin a result when you want that quant, or that injection, to stay chosen. See Quantitation and Sample keys.

Edit → Undo (Ctrl+Z) and Redo (Ctrl+Y) step through review actions: approve, undo approve, zero, and undo manual integration.

Approve marks the sample as reviewed. It does not change the concentration. Reinject marks the sample to be run again and stores a reinject dilution (default 1) and a reason.

Per-sample settings

On the sample row:

  • Dilution (and dilution exponent) scales the on-column dose and the final concentration.
  • Dose is the level name, not a volume. The concentration for that name is on the analyte. See Doses.
  • SmpKey groups this injection with others of the same sample. See Sample keys.
  • Type, Limit group, Cal group, SpikeGroup, Matrix, and AcqKey are also on this row. SpikeGroup is next to Cal group. The same name pairs an unspiked Sample or QC (no dose) with its spiked vials for spike recovery. The cell uses the spike-group colour from the method catalog (View → Spike groups). Empty means not paired. See Spike recovery.

Report and export for one sample

View → Report, choose the workbook, and run the defined report or export with the Sample target. That writes one Excel or PDF report, or one Excel or TSV export, per sample, under the folder you defined. See Report templates and Import and export.