mescla.emma.endmembers

Screening candidate end-members in U-space.

Two questions decide whether a set of candidates is usable:

  1. Do they bound the samples? Conservative mixtures of k+1 end-members lie inside the simplex those end-members span. Samples outside it cannot be explained by any non-negative combination – there is a source missing, or a reaction.

  2. Do they belong to the same mixing system? A candidate far from the mixing subspace carries chemistry the mixtures do not.

Functions

barycentric_coordinates

Barycentric coordinates of points with respect to a simplex.

hull_fraction

Fraction of points inside the hull -- report this number in every EMMA.

in_hull

Boolean mask of which points lie inside the convex hull of vertices.

rank_candidates

Score candidate end-members for extremeness and subspace membership.

suggest_endmembers

Rank every combination of candidates by how well it bounds the samples.