for anything GitHub related

Plotting Negative and Positive Values on a Logarithmic Scale

Submitted by Detlev Conrad … on Tue, 05/31/2016 - 18:54

As I continue to deal with chemical kinetics, I was in a position in which I wanted to plot both negative and positive values on a logarithmic scale.

Why? I was looking at Rate of Production (ROP) analysis, where species can be produced and consumed. Do to the large range of magnitudes involved in chemical kinetics, a conventional linear scale is impractical when trying to plot the results.

R Scripts Repository on GitHub

Submitted by Detlev Conrad … on Sun, 05/29/2016 - 15:24

I have created an R-Scripts repository on GitHub to give any scripts that I share a permanent home.

The repository will contain scripts that I write which may become useful to other people. For a start, the scripts are provided only with the inline comments and no further explanations. They are aimed at people who know a bit about R and can thus understand the commands, though they may also be interesting to beginners. R experts will possibly have a better solution running within a few minutes.


Plotting Chromatograms in R

Submitted by Detlev Conrad … on Mon, 03/16/2015 - 11:41

Chromatograms are so-so pieces of information - listing total detector counts, they do not necessarily tell you much about a chemicals composition, however they do allow you to obtain an initial idea about purity or changes in composition.

As I wanted to plot a chromatogram "my way" I needed a suitably flexible way of doing it - also free too.