Abstract
In-situ FTIR Spectral Deconvolution contains scripts for the fitting of gaussians to convoluted FTIR spectra. It was specifically developed to handle a time-series of in situ ATR-FTIR spectra, split the spectra into its individual gaussians, and track those peaks as they shift in intensity and energy. Along with the actual fitting script, this repository contains several support scripts for data analysis and recall of prior fit results.
- Developers:
-
Tremolet de Villers, Bertrand [1] ; Palmer, Jack [1]
- National Renewable Energy Laboratory (NREL), Golden, CO (United States)
- Release Date:
- 2024-04-18
- Project Type:
- Open Source, Publicly Available Repository
- Software Type:
- Scientific
- Programming Languages:
-
Python
- Licenses:
-
BSD 3-clause "New" or "Revised" License
- Sponsoring Org.:
-
USDOE Office of Energy Efficiency and Renewable Energy (EERE), Office of Sustainable Transportation. Vehicle Technologies Office (VTO)Primary Award/Contract Number:AC36-08GO28308
- Code ID:
- 127810
- Site Accession Number:
- NREL SWR-24-60
- Research Org.:
- National Renewable Energy Laboratory (NREL), Golden, CO (United States)
- Country of Origin:
- United States
Citation Formats
Tremolet de Villers, Bertrand, and Palmer, Jack.
In-situ FTIR Spectral Deconvolution [SWR-24-60].
Computer Software.
https://github.com/NREL/In-Situ-FTIR-SpectralDeconvolution.
USDOE Office of Energy Efficiency and Renewable Energy (EERE), Office of Sustainable Transportation. Vehicle Technologies Office (VTO).
18 Apr. 2024.
Web.
doi:10.11578/dc.20240924.4.
Tremolet de Villers, Bertrand, & Palmer, Jack.
(2024, April 18).
In-situ FTIR Spectral Deconvolution [SWR-24-60].
[Computer software].
https://github.com/NREL/In-Situ-FTIR-SpectralDeconvolution.
https://doi.org/10.11578/dc.20240924.4.
Tremolet de Villers, Bertrand, and Palmer, Jack.
"In-situ FTIR Spectral Deconvolution [SWR-24-60]." Computer software.
April 18, 2024.
https://github.com/NREL/In-Situ-FTIR-SpectralDeconvolution.
https://doi.org/10.11578/dc.20240924.4.
@misc{
doecode_127810,
title = {In-situ FTIR Spectral Deconvolution [SWR-24-60]},
author = {Tremolet de Villers, Bertrand and Palmer, Jack},
abstractNote = {In-situ FTIR Spectral Deconvolution contains scripts for the fitting of gaussians to convoluted FTIR spectra. It was specifically developed to handle a time-series of in situ ATR-FTIR spectra, split the spectra into its individual gaussians, and track those peaks as they shift in intensity and energy. Along with the actual fitting script, this repository contains several support scripts for data analysis and recall of prior fit results.},
doi = {10.11578/dc.20240924.4},
url = {https://doi.org/10.11578/dc.20240924.4},
howpublished = {[Computer Software] \url{https://doi.org/10.11578/dc.20240924.4}},
year = {2024},
month = {apr}
}