BLambdaR: REE patterns to shape coefficients

Citable reference: Anenburg and Williams (2022).
INSTRUCTIONS - READ THIS FIRST
Please contact me regarding any issues: michael.anenburg@anu.edu.au

Recorded videos of an online workshop on the method are available at the Mineralogical Society website.

A comma separated file (csv) containing 14 columns for each of the REE, in ppm. Each pattern should be in its own row. See sample file (the O'Neill 2016 database).
Anomalous elements to exclude from fit:
Plot:
2022-01-05: Updated citable reference.
2021-12-08: Fixed bug that caused app to crash when data with many missing elements were uploaded.
2021-07-19: Updated citable reference to Anenburg and Williams (2021).
2021-05-17: Chi-sq distribution plot now correctly updates when changing uncertainty estimate.
2021-03-03: Added link to online workshop.
2021-02-19: Added option to plot the measured pattern, on by default.
2021-02-18: Plotted fit now takes into account selected anomalies.
2021-01-25: Fixed bug that everything was fitted twice, and added a progress indicator.
2021-01-24: Updated anomaly notation. Added source code link.
2021-01-11: Clarified adjusted r-squared notation.
2021-01-09: Added instructions. Updated sample file to use O'Neills database. Fixed bug with missing chi-sq values.
2021-01-08: Fixed bug with negative values, treated as missing data.
2021-01-03: Fixed bug with zero values.
2021-01-02: Tetrads now use corrected parabolas according to polynomial fit to ionic radii
2020-12-29: Added option for anomalous Gd.
2020-12-23: More decimal digits, improves precision for ppb-level data.
2020-12-15: Added bivariate plots.
2020-12-14: Added reduced chi-sq tab with histogram, observed, and theoretical distribution.
2020-12-11: Now using tau symbols for tetrad coefficients.
2020-11-30: Cosmetic upgrades, more detailed file export.
2020-11-29: Fixed a small mistake in the input.
2020-11-27: Implemented tetrads, added stats: r-squared, se, p-values.
2020-11-18: Added option to prevent chondrite normalisation (e.g. when using partition coefficients).
2020-11-17: Added MSWD.
2020-11-16: Improved data table appearance, added option not to fit λ4.
2020-11-15: Enabled downloads.
2020-11-14: Added file upload.
2020-11-13: Basic functionality working.
2020-11-05: Initial release.

License

The MIT License

Copyright © 2021 Michael Anenburg

Permission is hereby granted, free of charge, to any person obtaining a copy of this software and associated documentation files (the ‘Software’), to deal in the Software without restriction, including without limitation the rights to use, copy, modify, merge, publish, distribute, sublicense, and/or sell copies of the Software, and to permit persons to whom the Software is furnished to do so, subject to the following conditions:

The above copyright notice and this permission notice shall be included in all copies or substantial portions of the Software.

THE SOFTWARE IS PROVIDED ‘AS IS’, WITHOUT WARRANTY OF ANY KIND, EXPRESS OR IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE SOFTWARE.

Source code

Download in R format:

app.R
PDF PNG
Download results MP: measured concentration (ppm), MFR: measured/fit ratio.