dc.contributor.author | Street, Theodore | |
dc.date.accessioned | 2022-08-25T15:20:01Z | |
dc.date.available | 2022-08-25T15:20:01Z | |
dc.date.issued | 2022-08-25 | |
dc.identifier.uri | http://hdl.handle.net/10222/81887 | |
dc.description.abstract | A review has been performed of the NMR software landscape that determines ideal qNMR software to be local, frequency-domain based and as automated as feasible. Within this landscape, reference deconvolution corrects lineshape distortions using a time-domain local/global technique and thus is a technique that has been singled out for improvement. A novel algorithm was created based on theoretical knowledge of magnetic resonance inhomogeneity as a summation of scaled, shifted, central peaks. This algorithm produced sufficient accuracy when applied to simulated (0.067-0.232%), and experimentally obtained data (0.025-18.04%), is robust to reasonable changes in initial peak parameters, and outperforms reference deconvolution by 0.85-25.7%. Overall, this algorithm is an effective solution for the correction of lineshape distortions produced by magnetic resonance inhomogeneity that operates entirely in the frequency domain and implements a global consensus fit, allowing for distinct improvement over reference deconvolution. | en_US |
dc.language.iso | en | en_US |
dc.subject | NMR data processing | en_US |
dc.title | Targeted Frequency Domain Correction of Lineshape Distortions Introduced by Magnetic Resonance Inhomogeneity in Quantitative NMR Spectroscopy | en_US |
dc.date.defence | 2022-08-16 | |
dc.contributor.department | Department of Process Engineering and Applied Science | en_US |
dc.contributor.degree | Master of Applied Science | en_US |
dc.contributor.external-examiner | n/a | en_US |
dc.contributor.graduate-coordinator | Dr. Suzanne Budge | en_US |
dc.contributor.thesis-reader | Dr. Jan Haelssig | en_US |
dc.contributor.thesis-reader | Dr. Robert Beiko | en_US |
dc.contributor.thesis-supervisor | Dr. Stanislav Sokolenko | en_US |
dc.contributor.ethics-approval | Not Applicable | en_US |
dc.contributor.manuscripts | Not Applicable | en_US |
dc.contributor.copyright-release | Not Applicable | en_US |