Zooming, a practical strategy for improving the quality of multidimensional NMR spectra

Zsolt Zolnai, Nenad Juranić, John L. Markley, Slobodan I Macura

Research output: Contribution to journalArticle

6 Citations (Scopus)

Abstract

A method has been developed, which is termed "zooming," that provides high digital resolution in any region selected from an n-dimensional data set. The region selected can be of arbitrary size (any number of data points). In the zooming approach as implemented in the "ZOOM" computer program, the desired region of the frequency-domain spectrum is first extracted. Next, a "pseudo-FID" for the selected region is constructed by n-dimensional inverse Fourier transformation. The resulting time-domain data block is zero filled in n -dimensions and finally Fourier transformed back to the frequency domain. The basic principles behind the zooming approach are described, and its application to the analysis of 2D and 3D NMR data from proteins is demonstrated. Zooming is expected to be of even greater importance in the analysis of higher-dimensional NMR data where problems of acquisition and processing times and data storage space become more pronounced. The implementation described here is for spectra consisting of real or absolute-value data; at least one zero fill must have been applied in each dimension during the initial processing of the data.

Original languageEnglish (US)
Pages (from-to)53-64
Number of pages12
JournalJournal of Magnetic Resonance - Series A
Volume119
Issue number1
StatePublished - 1996

Fingerprint

Nuclear magnetic resonance
nuclear magnetic resonance
Information Storage and Retrieval
Processing
Computer program listings
Software
Fourier transformation
data storage
Proteins
Data storage equipment
acquisition
proteins
computer programs
Datasets

ASJC Scopus subject areas

  • Engineering(all)

Cite this

Zooming, a practical strategy for improving the quality of multidimensional NMR spectra. / Zolnai, Zsolt; Juranić, Nenad; Markley, John L.; Macura, Slobodan I.

In: Journal of Magnetic Resonance - Series A, Vol. 119, No. 1, 1996, p. 53-64.

Research output: Contribution to journalArticle

@article{0a87a123ab3345139a63f5cbaae42f37,
title = "Zooming, a practical strategy for improving the quality of multidimensional NMR spectra",
abstract = "A method has been developed, which is termed {"}zooming,{"} that provides high digital resolution in any region selected from an n-dimensional data set. The region selected can be of arbitrary size (any number of data points). In the zooming approach as implemented in the {"}ZOOM{"} computer program, the desired region of the frequency-domain spectrum is first extracted. Next, a {"}pseudo-FID{"} for the selected region is constructed by n-dimensional inverse Fourier transformation. The resulting time-domain data block is zero filled in n -dimensions and finally Fourier transformed back to the frequency domain. The basic principles behind the zooming approach are described, and its application to the analysis of 2D and 3D NMR data from proteins is demonstrated. Zooming is expected to be of even greater importance in the analysis of higher-dimensional NMR data where problems of acquisition and processing times and data storage space become more pronounced. The implementation described here is for spectra consisting of real or absolute-value data; at least one zero fill must have been applied in each dimension during the initial processing of the data.",
author = "Zsolt Zolnai and Nenad Juranić and Markley, {John L.} and Macura, {Slobodan I}",
year = "1996",
language = "English (US)",
volume = "119",
pages = "53--64",
journal = "Journal of Magnetic Resonance",
issn = "1090-7807",
publisher = "Academic Press Inc.",
number = "1",

}

TY - JOUR

T1 - Zooming, a practical strategy for improving the quality of multidimensional NMR spectra

AU - Zolnai, Zsolt

AU - Juranić, Nenad

AU - Markley, John L.

AU - Macura, Slobodan I

PY - 1996

Y1 - 1996

N2 - A method has been developed, which is termed "zooming," that provides high digital resolution in any region selected from an n-dimensional data set. The region selected can be of arbitrary size (any number of data points). In the zooming approach as implemented in the "ZOOM" computer program, the desired region of the frequency-domain spectrum is first extracted. Next, a "pseudo-FID" for the selected region is constructed by n-dimensional inverse Fourier transformation. The resulting time-domain data block is zero filled in n -dimensions and finally Fourier transformed back to the frequency domain. The basic principles behind the zooming approach are described, and its application to the analysis of 2D and 3D NMR data from proteins is demonstrated. Zooming is expected to be of even greater importance in the analysis of higher-dimensional NMR data where problems of acquisition and processing times and data storage space become more pronounced. The implementation described here is for spectra consisting of real or absolute-value data; at least one zero fill must have been applied in each dimension during the initial processing of the data.

AB - A method has been developed, which is termed "zooming," that provides high digital resolution in any region selected from an n-dimensional data set. The region selected can be of arbitrary size (any number of data points). In the zooming approach as implemented in the "ZOOM" computer program, the desired region of the frequency-domain spectrum is first extracted. Next, a "pseudo-FID" for the selected region is constructed by n-dimensional inverse Fourier transformation. The resulting time-domain data block is zero filled in n -dimensions and finally Fourier transformed back to the frequency domain. The basic principles behind the zooming approach are described, and its application to the analysis of 2D and 3D NMR data from proteins is demonstrated. Zooming is expected to be of even greater importance in the analysis of higher-dimensional NMR data where problems of acquisition and processing times and data storage space become more pronounced. The implementation described here is for spectra consisting of real or absolute-value data; at least one zero fill must have been applied in each dimension during the initial processing of the data.

UR - http://www.scopus.com/inward/record.url?scp=0001982927&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=0001982927&partnerID=8YFLogxK

M3 - Article

AN - SCOPUS:0001982927

VL - 119

SP - 53

EP - 64

JO - Journal of Magnetic Resonance

JF - Journal of Magnetic Resonance

SN - 1090-7807

IS - 1

ER -