FOSS4Spectroscopy: R vs Python

FOSS
R
Python
Julia
Github
PyPi

Now with more Python and Julia packages, and improved workflow
Jul 6, 2022
Bryan Hanson

Introducing LearnPCA

R
PCA

Improve your understanding of PCA
May 3, 2022
Bryan Hanson

Metabolic Phenotyping Protocol Part 3

R
ChemoSpec
Metabolomics
PLS
PLS-DA

Implementing the Statistical Analysis in Metabolic Phenotyping Protocol of Blaise et al.
May 1, 2022
Bryan Hanson

Metabolic Phenotyping Protocol Part 2

R
ChemoSpec
Metabolomics

Implementing the Statistical Analysis in Metabolic Phenotyping Protocol of Blaise et al.
Mar 24, 2022
Bryan Hanson

Chemometrics in Spectroscopy: Key References

Literature

Keep coming back to these sources
Feb 18, 2022
Bryan Hanson

Do You have Stale Imports or Suggests?

R
Utilities
Developers

Hints For Package Developers
Feb 9, 2022
Bryan Hanson

Metabolic Phenotyping Protocol Part 1

R
ChemoSpec
Metabolomics

Implementing the Statistical Analysis in Metabolic Phenotyping Protocol of Blaise et al.
Feb 1, 2022
Bryan Hanson

GSOC 2021: New Graphics for ChemoSpec

R
ChemoSpec
ChemoSpecUtils
ChemoSpec2D
GSOC

Major improvements!
Oct 13, 2021
Bryan Hanson

GSOC 2021: hyperSpec and ChemoSpec!

R
hyperSpec
ChemoSpec
GSOC

I’m gonna be busy!
May 22, 2021
Bryan Hanson

Automatically Searching Github Repos by Topic

R
Github
FOSS
httr

How to find packages of interest
Apr 19, 2021
Bryan Hanson

Using Github Actions and drat to Deploy R Packages

R
Github Actions
drat
GSOC
hyperSpec

Automating a tedious task
Apr 11, 2021
Bryan Hanson

Spectroscopy Suite Update

R
ChemoSpec
ChemoSpec2D
ChemoSpecUtils
readJDX

Updates for the new version of R
Mar 27, 2021
Bryan Hanson

Interfacing ChemoSpec to PLS

R
PLS
ChemoSpec

It’s easy to connect the two packages
Feb 8, 2021
Bryan Hanson

GSOC Wrap Up

R
hyperSpec
GSOC
Guest Post

Guest post by Erick Oduniyi
Sep 8, 2020
Erick Oduniyi

Simulating Spectroscopic Data Part 1

R
Simulated Data
SpecHelpers
Baseline

Faking it…
Jun 28, 2020
Bryan Hanson

Fortifying hyperSpec: Getting Ready for GSOC

R
hyperSpec
GSOC

Re-factoring hyperSpec
May 7, 2020
Bryan Hanson

ChemoSpecUtils Update

R
ChemoSpecUtils

Improvments to ChemoSpecUtils
Apr 27, 2020
Bryan Hanson

Spectral Heatmaps

R
Heatmap
Seriation
ChemoSpec

Insights into how samples and frequencies affect clustering
Apr 25, 2020
Bryan Hanson

Data Sharing in the Age of Coronavirus, Part 1

Data Formats
JCAMP-DX
ASCII

ASCII & JCAMP-DX formats
Mar 21, 2020
Bryan Hanson

Aligning 2D NMR Spectra Part 3

R
ChemoSpec2D
Alignment
NMR

Putting it all together
Mar 4, 2020
Bryan Hanson

Aligning 2D NMR Spectra Part 2

R
ChemoSpec2D
Alignment
NMR

Implementing the HATS-PR algorithm
Mar 2, 2020
Bryan Hanson

Aligning 2D NMR Spectra Part 1

R
ChemoSpec
Alignment
NMR

Quantifying the mis-alignment
Feb 20, 2020
Bryan Hanson

ChemoSpec2D Update

R
ChemoSpec2D

Improvements to ChemoSpec2D
Feb 19, 2020
Bryan Hanson

Exploring Github Topics

R
Github

Scrape Github for Repos of Interest
Jan 25, 2020
Bryan Hanson

ChemoSpec Update

R
ChemoSpec

Improvements to ChemoSpec
Jan 24, 2020
Bryan Hanson

ChemoSpecUtils Update

R
ChemoSpecUtils

New version of ChemoSpecUtils
Jan 22, 2020
Bryan Hanson

FOSS for Spectroscopy Update

R
Python

Improvements to FOSS for Spectroscopy
Jan 22, 2020
Bryan Hanson

readJDX Overhaul

R
readJDX
Data Formats

Improvements to readJDX
Jan 2, 2020
Bryan Hanson

FOSS for Spectroscopy

R
Python

A Collection of Free and Open Source Spectroscopy Resources
Jan 1, 2020
Bryan Hanson
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