Journal article
Optimized reconstructions of compressively sampled two-dimensional infrared spectra
The Journal of chemical physics, Vol.150(23), pp.234202-234202
06/21/2019
DOI: 10.1063/1.5097946
PMID: 31228910
Abstract
Compressive sampling has the potential to dramatically accelerate the pace of data collection in two-dimensional infrared (2D IR) spectroscopy. We have previously introduced the Generic Iteratively Reweighted Annihilating Filter (GIRAF) reconstruction algorithm to solve the reconstruction in 2D IR compressive sampling. Here, we report a thorough assessment of this method and comparison to our earlier efforts using the Total Variation (TV) algorithm. We show that the GIRAF algorithm has some distinct advantages over TV. Although it is no better or worse in terms of ameliorating the impacts of compressive sampling on the measured 2D IR line shape, we find that the nature of those effects is different for GIRAF than they were for TV. In addition to assessing the impacts on the line shape of a single oscillator, we also test the ability of the algorithm to reconstruct spectra that have transitions from more than one oscillator, such as the coupled carbonyl oscillators in rhodium dicarbonyl. Finally, and perhaps most importantly, we show that the GIRAF algorithm has a distinct denoising effect on the signal-to-noise ratio (SNR) of the 2D IR spectra that can increase the SNR by as much as 4× without any additional signal averaging and collecting fewer data points, which should further enhance the acceleration of data collection that can be achieved using compressive sampling and enable even more challenging experimental measurements.
Details
- Title: Subtitle
- Optimized reconstructions of compressively sampled two-dimensional infrared spectra
- Creators
- Jonathan J Humston - Department of Chemistry, University of Iowa, Iowa City, Iowa 52242, USAIpshita Bhattacharya - Department of Electrical and Computer Engineering, University of Iowa, Iowa City, Iowa 52242, USAMathews Jacob - Department of Electrical and Computer Engineering, University of Iowa, Iowa City, Iowa 52242, USAChristopher M Cheatum - Department of Chemistry, University of Iowa, Iowa City, Iowa 52242, USA
- Resource Type
- Journal article
- Publication Details
- The Journal of chemical physics, Vol.150(23), pp.234202-234202
- DOI
- 10.1063/1.5097946
- PMID
- 31228910
- ISSN
- 0021-9606
- eISSN
- 1089-7690
- Grant note
- DOI: 10.13039/100000001, name: National Science Foundation, award: CHE-1707598
- Language
- English
- Date published
- 06/21/2019
- Academic Unit
- Roy J. Carver Department of Biomedical Engineering; Radiology; Liberal Arts and Science Admin; Electrical and Computer Engineering; Core Research Facilities; Iowa Neuroscience Institute; Radiation Oncology; Chemistry
- Record Identifier
- 9984070293702771
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