Chemometrics & Spectroscopy Using R

GSOC 2021: New Graphics for ChemoSpec

R
ChemoSpec
ChemoSpecUtils
ChemoSpec2D
GSOC

Major improvements!

GSOC 2021: hyperSpec and ChemoSpec!

R
hyperSpec
ChemoSpec
GSOC

I'm gonna be busy!

Automatically Searching Github Repos by Topic

R
Github
FOSS
httr

How to find packages of interest

Using Github Actions & drat to Deploy R Packages

R
Github Actions
drat
GSOC
hyperSpec

Automating a tedious task

Spectroscopy Suite Update

R
ChemoSpec
ChemoSpec2D
ChemoSpecUtils
readJDX

Updates for the new version of R

Interfacing ChemoSpec to PLS

R
PLS
ChemoSpec

It's easy to connect the two packages

GSOC Wrap Up

R
hyperSpec
GSOC
Guest Post

Guest post by Erick Oduniyi

Simulating Spectroscopic Data Part 1

R
Simulated Data
SpecHelpers
Baseline

Faking it...

Fortifying hyperSpec: Getting Ready for GSOC

R
hyperSpec
GSOC

Re-factoring hyperSpec

ChemoSpecUtils Update

R
ChemoSpecUtils

Improvments to ChemoSpecUtils

Spectral Heatmaps

R
heatmap
seriation
ChemoSpec

Insights into how samples and frequencies affect clustering

Data Sharing in the Age of Coronavirus, Part 1

Data Formats
JCAMP-DX
ASCII

ASCII & JCAMP-DX formats

Aligning 2D NMR Spectra Part 3

R
ChemoSpec2D
Alignment
NMR

Putting it all together

Aligning 2D NMR Spectra Part 2

R
ChemoSpec2D
Alignment
NMR

Implementing the HATS-PR algorithm

Aligning 2D NMR Spectra Part 1

ChemoSpec
R
Alignment
NMR

Quantifying the mis-alignment

ChemoSpec2D Update

R
ChemoSpec2D

Improvements to ChemoSpec2D

Exploring Github Topics

R
Github

Scrape Github for Repos of Interest

ChemoSpec Update

R
ChemoSpec

Improvements to ChemoSpec

ChemoSpecUtils Update

R
ChemoSpecUtils

New version of ChemoSpecUtils

FOSS for Spectroscopy Update

R
Python

Improvements to FOSS for Spectroscopy

readJDX Overhaul

R
readJDX
Data Formats

Improvements to readJDX

FOSS for Spectroscopy

R
Python

A Collection of Free & Open Source Spectroscopy Resources

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Chemometrics & Spectroscopy Using R