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quantMSImageR 0.99.4

  • Transitions are now matched to the ion library at unit resolution (mz_tolerance default 0.4, was 0.05). A triple quadrupole running MRM selects Q1 and Q3 at unit resolution, so a product ion written as 308.1 and one written as 308.3 are the same measurement; matching more tightly than the instrument resolves made annotation depend on how many decimal places were typed into the library. Applies to read_mrm(), build_feature_meta(), align_features() and bind_panels(). Precursor and product must still both agree.
  • ambiguity gains a "combine" mode, now the default. A transition matching several library entries is named for all of them, joined with " || " -- e.g. "LTC4 || 14_15-LTC4", isomers 0.03 Da apart on the product ion that no acquisition can separate. Annotation columns come from the closest entry. "error", "warn" and "nearest" are unchanged.
  • Combining across entries of differing Type is refused: one feature cannot be both analyte and internal standard.
  • Fixed the show methods export, which was declared in NAMESPACE without the generic being imported from methods.

quantMSImageR 0.99.3

  • Fixed run_example() / generate_txt_images(): trimming empty background borders no longer removes the last background pixels when the tissue fills a perfect rectangle, which had left int2snr() with nothing to reference.
  • Fixed the HTML report for single-acquisition studies: the run-to-group map is now built in an always-run chunk, so single-sample reports render.

quantMSImageR 0.99.2

  • Report heatmap now shows the sample-group colour legend (the group colour bar was previously drawn without a key). Legends are merged into one column, which also avoids a ComplexHeatmap drawing error seen with multiple annotations.

quantMSImageR 0.99.1

  • Added show() methods for the calibrationInfo, tissueInfo and quant_MSImagingExperiment classes.
  • Enabled R-universe build checking.
  • Vignette, help-page and package-title clarifications; documentation tidy-up.

quantMSImageR 0.99.0

  • First Bioconductor submission.
  • Added per-analyte SNR overrides (snr_overrides) and per-report SNR_used reporting.
  • Added bind_panels() for coordinate-matched merging of cross-panel / cross-polarity acquisitions of the same tissue; bind_polarities() is now a deprecated alias.
  • Added build_feature_meta() to join ion-library metadata to features by m/z.
  • Coordinate-aware tissue masks (select_tissue_pixels() now writes x/y), portable across MRM panels of the same sample.
  • Consolidated read_mrm() to handle single- and multi-analyte imaging folders.
  • Calibration (summarise_cal_levels(), create_cal_curve(), int2conc()) can be driven from the study YAML via a calibration: block.