Sunday, May 30, 2021

QSoas quiz #2: averaging several Y values for the same X value

This second quiz may sound like the first one, but in fact, the approach used is completely different. The point is to gather some elementary statistics from a series of experiments performed under different conditions, but with several repeats at the same conditions.


You are given a file (which you can download there) that contains a series of pH value data: the X column is the pH, the Y column the result of the experiment at the given pH (let's say the measure of the catalytic rate of an enzyme). Your task is to take this data and produce a single dataset which contains, for each pH value, the pH, the average of the results at that pH and the standard deviation. The result should be identical to the following file, and should look like that:
There are several ways to do this, but all ways must rely on stats, and the more natural way in QSoas is to take advantage of split-on-values, which is a very powerful command but somehow hard to master, which is the point of this Quiz.
By the way, the data file is purely synthetic, if you look in the GitHub repository, you'll see how it was generated.

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.

No comments: