mljs/spectra-processing

Common package to deal with spectra

Global Spectra Deconvolution

Parse a text-file and convert it to an array of XY points

Baseline correction using adaptive iteratively reweighted penalized least

Convert strings into JCAMP

Calculate the isotopic distribution of a molecular formula

A mass spectrum

Process data in the form of {x:[], y:[]}

Extract coupling constants from a complex NMR multiiplet

Common package to deal with analysis

Thermo Galactic GRAMS SPC files parser

Fit spectra using gaussian or lorentzian

baselines provides a collection of baseline correction methods.

generate a spectrum from discrete peaks

Returns true / false for an object using mw, em, msem, unsaturation and atoms

it performs a linear sum assignment even if the cost matrix is rectangular.

Read and explore mzData v1.05 files

React component to display and process nuclear magnetic resonance (NMR) spectra.

Database manager for exact mass query

Direct - DIviding RECTangles optimization algorithm

Rolling ball baseline correction

Univariate tests

React component to display and process nuclear magnetic resonance (NMR) spectra.

Line broadening through integral transforms

xrd-analysis can convert output files from powder-xray diffraction into JCAMP-DX format and perform analysis (Scherrer equation, ...) on the diffractograms

Project that allows to deal with pellet hardness

Project that allows to deal with Differential Centrifugal Sedimentation (DCS)

Project that allows to deal with X-ray fluorescence spectra (XRF)