API reference¶

The public API is re-exported from the top-level package, so the common calls are one import away:

import mescla as am

am.EMMA, am.emma                      # how many end-members, which species
am.mixing_ratios, am.mix_ml, am.MixML # in what proportions
am.WaterChemistry, am.EndMembers      # the containers

Everything below is importable from its own module too, which is what the reference pages document.

Containers¶

mescla.types

Core data containers shared across Mescla.

Preparing the data¶

Unit conversion, charge balance, standardisation, and the tools for ragged datasets.

`mescla.prep.units`	Unit conversion for major-ion chemistry.
`mescla.prep.qaqc`	Quality checks to run before any mixing analysis.
`mescla.prep.transform`	Standardisation of water chemistry prior to eigen-analysis.
`mescla.prep.missing`	Ragged datasets: reporting, and choosing what to keep.

End-member mixing analysis¶

How many end-members the data require, which species behave as a mixture, and whether candidate end-members bound the samples.

`mescla.emma.model`	The EMMA estimator: a scikit-learn-style wrapper over the functional pieces.
`mescla.emma.pca`	Eigen-analysis of standardised water chemistry.
`mescla.emma.rank`	How many components to retain -- and therefore how many end-members.
`mescla.emma.projection`	Projection into and out of the mixing subspace (U-space).
`mescla.emma.diagnostics`	Goodness-of-fit diagnostics for a mixing model (Hooper, 2003).
`mescla.emma.endmembers`	Screening candidate end-members in U-space.
`mescla.emma.archetypes`	Archetypal analysis: data-driven candidates for end-members.

Mixing ratios¶

Constrained least squares, the closed forms, and the maximum-likelihood method for uncertain end-members.

`mescla.mixing.lsq`	Constrained least squares for mixing ratios with known end-members.
`mescla.mixing.geometric`	Closed-form mixing fractions for the small cases, and the U-space solve.
`mescla.mixing.ml`	MIX: maximum-likelihood mixing ratios with uncertain end-members.

Isotopes¶

Isotopes of the water molecule mix linearly; isotope ratios of a solute do not.

mescla.isotopes

Isotope tracers, and the one that breaks linear mixing.

Uncertainty¶

`mescla.uncertainty.propagation`	Analytical error propagation for mixing fractions.
`mescla.uncertainty.montecarlo`	Monte Carlo uncertainty for mixing ratios.
`mescla.uncertainty.resampling`	Jackknife and bootstrap uncertainty for mixing ratios.
`mescla.uncertainty.identifiability`	Can these mixing ratios be computed at all?

Reactions¶

mescla.reactions.residuals

Reading geochemical reactions out of mixing residuals.

Datasets¶

`mescla.datasets.synthetic`	Synthetic mixtures with known ground truth.
`mescla.datasets.loaders`	Loaders for the bundled datasets and for live public data.

Plotting¶

Requires the plotting extra.

`mescla.plotting.diagrams`	Figures for EMMA and mixing analyses.
`mescla.plotting.theme`	Colours and mark specifications for Mescla figures.