Revisiting aliasing noise to build more robust sparsity in nonuniform sampling 2D-NMR
© 2023 John Wiley & Sons Ltd.
| Veröffentlicht in: | Magnetic resonance in chemistry : MRC. - 1985. - 61(2023), 6 vom: 22. Juni, Seite 337-344 |
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| Weitere Verfasser: | , |
| Format: | Online-Aufsatz |
| Sprache: | English |
| Veröffentlicht: |
2023
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| Zugriff auf das übergeordnete Werk: | Magnetic resonance in chemistry : MRC |
| Schlagworte: | Journal Article HSQC LR-HSQMBC aliasing multidimensional NMR nonuniform sampling strychnine ubiquitin |
| Zusammenfassung: | © 2023 John Wiley & Sons Ltd. A continuing priority is to better understand and resolve the barriers to using nonuniform sampling (NUS) in challenging small molecule 2D NMR with subsampling of the Nyquist grid (a.k.a. coverage) below 50%. Possible causes for artifacts, often termed sampling noise, in 1D-NUS of 2D-NMR are revisited here, where weak aliasing artifacts are a growing concern as NUS becomes sparser. As NUS schedules become sparser, repeat sequences are shown to occur in the dense sampling regions early in the sampling schedule, causing aliasing artifacts in resulting spectra. An intuitive screening approach that detects patterns in sampling schedules based on a convolutional filter was implemented. Sampling schedules that have low proportions of repeat sequences show significantly reduced artifacts. Another route to remediate early repeat sequences is a short period of uniform sampling at the beginning of the schedule, which also leads to a significant suppression of unwanted sampling noise. Combining the repeat sequence filter with a survey of HSQC and LR-HSQMBC experiments, it is shown that very short initial uniform regions of about 2%-4% of the sampling space can ameliorate repeat sequences in sparser NUS and lead to robust spectral reconstructions by iterative soft thresholding (IST), even when the point spread function is unchanged. Using the principles developed here, a suite of 'one-click' schedules was developed for broader use |
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| Beschreibung: | Date Completed 10.05.2023 Date Revised 24.07.2023 published: Print-Electronic ErratumIn: Magn Reson Chem. 2023 Sep-Oct;61(9-10):560-561. - PMID 37485992 Citation Status PubMed-not-MEDLINE |
| ISSN: | 1097-458X |
| DOI: | 10.1002/mrc.5340 |