AnIML XML

Status: Experimental · Vendor: IUPAC / ASTM · Extensions: .animl

AnIML (Analytical Information Markup Language) is a broad XML container for analytical data, not only spectroscopy. This reader covers AnIML documents that expose a spectral SeriesSet: an axis series identified as wavelength or wavenumber, plus one or more same-length signal series. Coverage is scoped to committed synthetic fixtures while real spectral AnIML files are sourced.

Instruments & software

Vendor-neutral analytical instruments and software that emit AnIML. No real redistributable spectral AnIML file is available yet, so committed spectral fixtures are synthetic; a committed real-world AnIML file is non-spectral and is deliberately refused.

File structure

XML, dispatched on an .animl extension by sniffing for <AnIML or :AnIML (probe confidence Definite). No feature flag and no companion files: AnIML decodes in-memory through open_bytes. The reader streams the XML, locating the axis series inside a SeriesSet and reading the signal series alongside it.

What nirs4all-formats extracts

  • Signals — every non-axis series whose length matches the axis, named from the series name with the signal type inferred from that name. When several signals are present, the record’s dominant signal type is chosen by priority.

  • Axis — the series identified as wavelength or wavenumber, with the kind and unit derived from its ID/name/unit (defaulting to nm for wavelength, cm-1 for wavenumber).

  • Targets — numeric Parameter values inside SampleSet.

  • Metadata — sample_id and sample_name from Sample attributes.

  • Provenance — source file + SHA-256, reader name and version.

Supported value blocks are explicit <F> and <D> numeric values plus uniform AutoIncrementedValueSet grids defined by StartValue and Increment.

Variants & support status

Variant

Status

Notes

Spectral SeriesSet with explicit values

Experimental

Axis + same-length signal series.

AutoIncrementedValueSet axis grid

Experimental

Uniform StartValue + Increment.

SampleSet numeric parameters

Experimental

Emitted as record targets.

Real vendor spectral AnIML

Planned

Synthetic fixtures only; real files + XSD conformance wanted.

Limitations & known gaps

  • AnIML is a broad analytical container; documents without a supported spectral axis series are refused (the committed non-spectral NMR/DLS example is a locked refusal).

  • Remaining gaps: real spectral AnIML fixtures, non-zero segmented value-set indices, schema/XSD validation and broader vendor-export conformance.

Reference readers

animl-python and generic XML validators read the same documents; reference comparison awaits real spectral fixtures.

Samples & validation

Fixtures under samples/animl/: synthetic_nirs.animl and synthetic_nirs_autoincrement.animl (each 1 record, nm axis, absorbance, protein target; the second uses an AutoIncrementedValueSet axis). Example3.animl is a real but non-spectral AnIML file kept as a locked refusal. The probe reports animl at Confidence::Definite.