Git Product home page Git Product logo

kklmn / xafsmass Goto Github PK

View Code? Open in Web Editor NEW
9.0 7.0 1.0 7.87 MB

A python program for calculating the mass of XAFS [X-Ray Absorption Fine Structure] samples. The chemical formula parser understands parentheses and weight percentage, also in nested form. XAFSmass reports the quantity (weight, thickness or pressure) together with the expected height of the absorption edge. The GUI is provided by Qt.

License: MIT License

Python 100.00%
xafs absorption-edge mass python

xafsmass's Introduction

XAFSmass

DOI

XAFSmass is a python program for calculating the mass of XAFS [X-ray Absorption Fine Structure] samples. The chemical formula parser understands parentheses and weight percentage, also in nested form. XAFSmass reports the quantity (weight, thickness or pressure) together with the expected height of the absorption edge. The GUI is provided by Qt.

Copyright (c) 2015 Konstantin Klementiev and Roman Chernikov under the MIT License terms

Dependencies

numpy, pyparsing and matplotlib are required. Qt must be provided by either PyQt4, PyQt5 or PySide.

Installation

Unzip the .zip file into a suitable directory and run python XAFSmassQt.py. On Windows, run pythonw XAFSmassQt.py or give it a .pyw extension to suppress the console window.

You may want to run python setup.py install in order to put the XAFSmass package to the standard location.

Documentation

See it on http://xafsmass.readthedocs.io Documentation Status

xafsmass's People

Contributors

kklmn avatar

Stargazers

 avatar  avatar  avatar  avatar  avatar  avatar  avatar  avatar  avatar

Watchers

 avatar  avatar  avatar  avatar  avatar  avatar  avatar

Forkers

nbeaver

xafsmass's Issues

PyPi-Package

A PyPi-Package would be nice. Are there any plans?

How to make S/N ratio plots as shown on readthedocs?

Hello, I installed your tool and found it very user friendly. I had a question about something from the readthedocs, and I wasn't sure where to ask about it, so I'm using GitHub issues, I hope that's alright.

Looking at the https://xafsmass.readthedocs.io/ page, I found your S/N ratio plots quite interesting. I looked through the source code but didn't notice any way of making those plots or doing those kind of calculations. Is it possible to do those using the package, or would you be able to upload an example of those calculations?

I'm interested in particular because I'm working with XAFS using a laboratory instrument instead of a synchrotron beamline, so instead of having an upstream and downstream ionization detector, we measure I_zero with no sample, and I_t with the sample in front of the detector, so I'm curious how that effects the optimal S/N and therefore the optimal mu_t*d.

Recommend Projects

  • React photo React

    A declarative, efficient, and flexible JavaScript library for building user interfaces.

  • Vue.js photo Vue.js

    ๐Ÿ–– Vue.js is a progressive, incrementally-adoptable JavaScript framework for building UI on the web.

  • Typescript photo Typescript

    TypeScript is a superset of JavaScript that compiles to clean JavaScript output.

  • TensorFlow photo TensorFlow

    An Open Source Machine Learning Framework for Everyone

  • Django photo Django

    The Web framework for perfectionists with deadlines.

  • D3 photo D3

    Bring data to life with SVG, Canvas and HTML. ๐Ÿ“Š๐Ÿ“ˆ๐ŸŽ‰

Recommend Topics

  • javascript

    JavaScript (JS) is a lightweight interpreted programming language with first-class functions.

  • web

    Some thing interesting about web. New door for the world.

  • server

    A server is a program made to process requests and deliver data to clients.

  • Machine learning

    Machine learning is a way of modeling and interpreting data that allows a piece of software to respond intelligently.

  • Game

    Some thing interesting about game, make everyone happy.

Recommend Org

  • Facebook photo Facebook

    We are working to build community through open source technology. NB: members must have two-factor auth.

  • Microsoft photo Microsoft

    Open source projects and samples from Microsoft.

  • Google photo Google

    Google โค๏ธ Open Source for everyone.

  • D3 photo D3

    Data-Driven Documents codes.