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Update README.md
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robertsparkes committed Dec 12, 2016
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Expand Up @@ -5,13 +5,19 @@ This script implements the procedure for fitting Raman Spectra as described in:

Sparkes et al., 2013. Automated Analysis of Carbon in Powdered Geological and Environmental Samples by Raman Spectroscopy. Applied Spectroscopy, 67, 7, 779-788. DOI: 10.1366/12-06826.

Publisher's version of the paper (subscription required):
http://asp.sagepub.com/content/67/7/779

Final manuscript version archived free-of-charge according to publisher's open access policy:
http://e-space.mmu.ac.uk/613531/

This script analyses Raman spectra of Carbonaceous Material, by fitting Lorentzian distributions
to the G, D1, D2, D3 and D4 peaks, as well as correcting for a linear background.
The input is taken from a series of `x y` text files as produced by a Renishaw Raman spectrometer using
Wire software, or from other Raman spectrometry software.

Proprietary .wxd files can be converted into two-column space-separated text files
(wavenumber intensity) using the "Wire Batch Convert" program.
(wavenumber intensity) using the "Wire Batch Convert" program provided by Renishaw.

The text files should be contained within one single folder, or grouped into sub-folders.

Expand Down Expand Up @@ -57,5 +63,5 @@ raman-fitting.sh -d -q -t 5 taiwan*.txt
~~~~

Note: The included script "cropraman.sh" will take a file and crop to certain wavenumbers. The
fitting procedure is less accurate if files extend too far beyond 1900 cm-1 as the assumption
fitting procedure is less accurate if files extend too far beyond 2000 cm-1 as the assumption
of a linear background is no longer valid.

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