docs: full Doxygen API documentation for reflection data#417
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April 22, 2026 18:35
Co-Authored-By: Claude Sonnet 4.6 <noreply@anthropic.com>
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Summary
This PR adds complete Doxygen API documentation for Gemmi's reflection data layer, covering 9 headers:
mtz.hpp— MTZ binary reflection file format (Mtz, Column, Dataset, Batch, MtzDataProxy)refln.hpp— CIF/mmCIF reflection block abstraction (ReflnBlock, ReflnDataProxy)cif2mtz.hpp— CIF-to-MTZ conversion (CifToMtz, column mapping, old-style anomalous handling)mtz2cif.hpp— MTZ-to-CIF/SF-mmCIF conversion (MtzToCif with configurable spec)xds_ascii.hpp— XDS_ASCII.HKL file reading (XdsAscii, Refl, orientation matrices)xds2mtz.hpp— XDS-to-MTZ conversion (xds_to_mtz with batch header support)intensit.hpp— Intensity merging and scaling (Intensities, MergingStats, AnisoScaling)binner.hpp— Resolution shell binning (Binner, Method enum, setup/query API)asudata.hpp— Asymmetric unit data storage (AsuData, HklValue, load/ensure_asu)Documentation standard
///triple-slash Doxygen comments throughout@brief; non-obvious parameters have@param/@return/@throws/@tparamDependencies
This PR depends on PR #413 (Doxygen/Breathe infrastructure) being merged first.
It follows PR #414 (core data structures), PR #415 (CIF handling), and PR #416 (structure I/O) in the documentation series.
Series context
This is PR 5 of a planned series of 10 PRs adding incremental API documentation:
api-docs/infraapi-docs/core-structuresapi-docs/cifapi-docs/structure-ioapi-docs/reflectionapi-docs/maps-gridsapi-docs/calculationsapi-docs/chemistryapi-docs/scattering-mathapi-docs/io-utilsAttribution
Builds on and credits prior work in PR #402 (Paul Emsley / pemsley). All comments audited/rewritten where needed against actual implementations.