Thursday, March 11, 2021

All tips and tricks about QSoas

I've decided to post regular summaries of all the articles written here about QSoas; this is the first post of this kind. All the articles related to QSoas can be found here also.

The articles written here can be separated into several categories.

Tutorials to analyze real data

These are posts about how to reproduce the data analysis of published articles, including links to the original data so you can fully reproduce our results. These posts all have the label tutorial.

All about fits

QSoas has a particularly powerful interface for non-linear least square minimisations (fits):
  • See here to learn how you can take advantage of the fit interface to explore easily how a parameter influences the shape of a function.
  • See here how you can produce smooth curves for a fit on jaggy data.


Meta data describe the conditions in which experiments were performed.
  • You can see here how to use them in data analysis, to plot for instance peak position as a function of meta-data;
  • You can see here how to permanently store meta-data for files.

Quiz and their solutions

Quiz are small problems that take some skill to solve; they can teach you a lot about how to work with QSoas.
  • Quiz #1: computing the standard deviation of spectra, along with the solution. This quiz can teach you a lot about combining data from different datasets and manipulating data row-by-row.

Other tips and tricks

  • See here how to find the 0s of experimental data.
  • See here how one can save just the selected points in a baseline, and reuse them.
  • See here to learn how to generate many datasets in one go from a mathematical formula.
  • See here how to define a custom mathematical function using Ruby.
  • See here how one can take advantage of Ruby, the underlying programming language to sum columns, extend the values of columns with lots of missing values and rename datasets using a pattern.
  • See here how you can use QSoas without starting the graphical interface !

Release annoucements

These have generally lot of general information about the possibilities in QSoas:

About QSoas

QSoas is a powerful open source data analysis program that focuses on flexibility and powerful fitting capacities. It is released under the GNU General Public License. It is described in Fourmond, Anal. Chem., 2016, 88 (10), pp 5050–5052. Current version is 3.0. You can download its source code there (or clone from the GitHub repository) and compile it yourself, or buy precompiled versions for MacOS and Windows there.

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