zgainsforth/stoichiometryfitter

Interconvert X-ray counts into elemental abundances and determine mineral compositions from the composition.

#StoichiometryFitter

Read the paper describing the software.

1. Interconvert X-ray counts into elemental abundances.

2. Use elemental abundances to determine mineral compositions and solid solutions.

3. Do application specific processing for phases such as computing site occupancies from stoichiometry, or determining Fo#.

For a quick overview of what the program does, download the video to your machine and view it.

Is there a feature that would be very useful to you? Contact me at [email protected].

##Todo:

1. Add command line functionality to open an input file, set the processing steps and go.

2. If the counts are saved for an input file, then autosave the output file.

3. Pass output file root to phase analyzer so it can autosave auxiliary files.

stoichiometryfitter's Issues

Results pane not obvious

Depending on the size of the browser window, if the results pane is off the bottom, then after saying Go! then "nothing happens." In fact, it has finished and put the results off the bottom of the screen. Possible solutions include putting a text message next to the Go button saying "done, scroll down" or just having the browser automatically scroll down to the results pane. I prefer the latter.

QMin doesn't have oxygen.

Select At%, Set O=6, Na=0.05, Mg=2, Si=2:

QMin gets an input data of: Si=60, Mg=40, Na=0.8. No oxygen.

Then it guesses quartz which is wrong.

The correct inputs should be O=60, Mg=20, Si=20, Na=0.5.

Zack

Auto generated files got added to project

flask_session shouldn't be in the project. Use gitignore.
qminFormat.csv shouldn't be in the project. If you need a template, rename it to qminFormatTemplate.csv so you aren't editing a source code file while running the program. Also, that should be under the configdata directory rather than root because it attends the qmin phase file.

Cosmetic issues

Icons at the top are random and have nothing to do with the subject. They provide links to string theory and other random disrelated jazz. There should probably be one link to the github page, and one link to e-mail for support (go ahead and use a [email protected] link).

The regions on the right side are mashed together. There should be a horizontal bar between each section or similar spacing so it is obvious where the demarcations are. For example, after the phase analysis drop down and the arbitrary absorption text.

Reset button shouldn't reset these controls, only the elements.