nathaniel-mahieu Goto Github PK

bitcoin

Bitcoin Core integration/staging tree

centwavep

A fork of centWave - LC/MS peak detection with wavelets.

codeshare

Code I'm working on and sharing with people.

compound-discoverer-spectral-stitching

Allows the use of multiple, interleaved, scan segments with Compound Discoverer

cplexapi

:exclamation: This is a read-only mirror of the CRAN R package repository. cplexAPI — R Interface to C API of IBM ILOG CPLEX

cthulhu

Arduino Library and Example code for using the Cthulhu Shield

doredis

R/foreach Redis backend for parallel computing

enrich.no12c

Proof of concept untargeted enrichment detection

entrainment-freq

exdata_plotting1

Plotting Assignment 1 for Exploratory Data Analysis

hablar

Intuitive NA-handling in R

jh_machine_learning_p1

Project for coursera class

kisscartoon_playlistmaker

Turns Kiss Cartoon Into VLC Playlists

knitr_template

macha

Macha is an unpublished suite of tools for metabolomics analysis. This includes novel algorithms for ROI detection for orbitrap data (webroi), baseline estimation for orbitrap data (ahull.baseline) and peak model estimation using skewed gaussian distributions (findcomponenets), fast peak grouping (dengroup and kernelsplit), and wrappers for warpgroup and mz.unity (warpgroup.nmacha unityme). Originally intended to improve on the result quality of existing metabolomic workflows. Ultimately I came to see the chromatographic-peak driven model of processing MS data as flawed and lost interest in this project. Some of the code remains useful.

metabolomic-feature-reduction-2017

metabolomics.project.collection

Random scripts regarding metabolomics

mz.unity

mz.unity is an R package for detecting and exploring complex relationships in accurate-mass mass spectrometry data

netid

A global network optimization approach for untargeted LC-MS metabolomics data annotation and metabolite discovery

nextflow-r-patterns

Nextflow library version management with renv and docker. Also distributing custom code to nextflow nodes.

pixie-light-stuff

pleiad

Targeted. DTW. Isotopologues.

pluck_bug_example

qe.i.dist

qe.sens.eval

qe.source.osc

Analysis of QE signal oscillation

repdata_peerassessment1

Peer Assessment 1 for Reproducible Research

warpgroup

The warpgroup algorithm takes multiple LC/MS samples and determines: 1. Segregation of those peaks into compound groups; 2. Per-group consensus integration bounds; 3. Integration bounds for samples in which no peak was detected.

xcms

This is the git repository matching the Bioconductor package xcms: LC/MS and GC/MS Data Analysis