Template:Resolution controversy
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Resolution and resolving power controversy
| QUOTED TEXT FROM IUPAC RECOMMENDATIONS 2013 |
| The IUPAC definition of resolution in mass spectrometry expresses this value as m/Δm, where m is the mass of the ion of interest and Δm is the peak width (peak width definition) or the spacing between two equal intensity peaks with a valley between them no more than 10 % of their height (10 % valley definition) [1]. Resolving power in mass spectrometry is defined as the ability of an instrument or measurement procedure to distinguish between two peaks at m/z values differing by a small amount and expressed as the peak width in mass units [2]. Mass resolving power is defined separately as m/Δm in a manner similar to that given above for mass resolution [3]. These definitions of mass resolving power and resolving power in mass spectrometry are contradictory, the former is expressed as a dimensionless ratio and the latter as a mass. The definitions for resolution in mass spectrometry and resolving power in mass spectrometry come from Todd's 1991 recommendations [4], and the definition for mass resolving power comes from Beynon's 1978 recommendations [5]. Beynon's work contains no definition for mass resolution.
Alternative definitions for resolution and resolving power in mass spectrometry have been proposed [6][7]. It has been suggested that resolution be given by Δm and resolving power by m/Δm; however, these definitions are not widely used. The majority of the mass spectrometry community uses resolution as defined by IUPAC. The term resolving power is not widely used as a synonym for resolution. In this document, the IUPAC definition of resolution in mass spectrometry remains in place. The definition of resolving power has been adapted from the current IUPAC definition of mass resolving power. |
| From Definitions of Terms Relating to Mass Spectrometry (IUPAC Recommendations 2013); DOI: 10.1351/PAC-REC-06-04-06 © IUPAC 2013. |
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Books defining resolution and/or resolving power
Books using resolution is m/Δm
- Mass Spectrometry and its Applications to Organic Chemistry
- J. H. Beynon, Elsevier, 1960
- p. 51 "The terms 'resolution' and 'resolving power' have been used a great deal in the above discussion. It has been assumed that the doublet is 'resolved' when its constituent ion species are 'separated' and that the difficult of separation or 'resolving power' necessary to separate the adjacent mass peaks is given by M/ΔM."
- Mass Spectrometry - Organic Chemical Applications
- Klaus Biemann, McGraw-Hill, 1962
- (p. 13) the term resolution is used in different ways - Throughout this book resolution will be considered as M/ΔM
- Lasers and Mass Spectrometry
- By David M. Lubman, Oxford University Press US, 1990, ISBN 0195059298
- Interpretation of Mass Spectra
- Fred W. McLafferty, Turecek, University Science Books, 1993, Language: English, ISBN 0935702253
- Mass Spectrometry: Clinical and Biomedical Applications
- By Dominic M. Desiderio, Springer, 1993, ISBN 0306442612
- Practical Organic Mass Spectrometry: A Guide for Chemical and Biochemical Analysis
- J. R. Chapman, Wiley_Default, 1995, ISBN 047195831X
- Mass Spectrometry for Chemists and Biochemists
- Robert Alexander Walker Johnstone, M. E. Rose, Cambridge University Press, 1996, ISBN 0521424976
- Introduction to Mass Spectrometry
- By J. Throck Watson, Lippincott-Raven, 1997, ISBN 0397516886
- Ionization Methods in Organic Mass Spectrometry
- By Alison E. Ashcroft, Royal Society of Chemistry (Great Britain), Royal Society of Chemistry, 1997, ISBN 0854045708
- Accelerator Mass Spectrometry: Ultrasensitive Analysis for Global Science
- Claudio Tuniz, John R. Bird, Gregory F. Herzog, David Fink, CRC Press, 1998, ISBN 0849345383
- Mass Spectrometry in Biology & Medicine
- By A. L. Burlingame, Steven A. Carr, Michael A. Baldwin, Humana Press, 1999, ISBN 0896037991
- Mass Spectrometry and Genomic Analysis
- J. Nicholas Housby, Springer, 2001, ISBN 0792371739
- Mass Spectrometry Basics
- Christopher G. Herbert, Robert Alexander Walker Johnstone, CRC Press, 2002, ISBN 0849313546
- Liquid Chromatography Mass Spectrometry: An Introduction Robert E. Ardrey
- Wiley, 2003, ISBN 0471498017
- Mass Spectrometry: A Textbook
- Jurgen H. Gross, Springer, 2004, ISBN 3540407391
- Quadrupole Ion Trap Mass Spectrometry
- By Raymond E. March, John F. Todd, Wiley-IEEE, 2005, ISBN 0471717975
- The Expanding Role of Mass Spectrometry in Biotechnology
- Gary Siuzdak, McC Pr, 2006, ISBN 0974245127
- Quantitative Applications of Mass Spectrometry
- Pietro Traldi, Franco Magno, Irma Lavagnini, Roberta Seraglia, Wiley, 2006, ISBN 0470025166
- Assigning Structures to Ions in Mass Spectrometry
- John L. Holmes, Christiane Aubry, Paul M. Mayer, CRC, 2006, ISBN 0849319501
- Mass Spectrometry: Principles and Applications
- Edmond de Hoffmann, Vincent Stroobant, Wiley-Interscience, 2007
- ISBN 047003310X
- Mass Spectrometry: Principles and Applications
- Edmond de Hoffmann, Jean Charette, Vincent Stroobant, Wiley, 1996, ISBN 0471966975
- p 287: "Resolution: the ratio of m/δm where m and m+δm are the mass numbers of the two ions that yield neighboring peaks with a valley depth of x% of the weakest peak's intensity."
- Quantitative Proteomics by Mass Spectrometry (Methods in Molecular Biology)
- Salvatore Sechi, Humana Press, 2007, ISBN 1588295710
- Computational Methods for Mass Spectrometry Proteomics
- Ingvar Eidhammer, Kristian Flikka, Lennart Martens, Svein-Ole Mikalsen, Wiley-Interscience, 2008, ISBN 0470512970
Books that use resolution is Δm
- Mass Spectrometry Desk Reference
- David Sparkman, Global View, 2006, ISBN 0966081390
- "Incorrect: resolution - when defined in the same way as resolving power. Resolution is the inverse of resolving power and expressed as ΔM at M."
- Introduction to Mass Spectrometry: Instrumentation, Applications, and Strategies for Data Interpretation
- J. Throck Watson, O. David Sparkman, Wiley, 2007, Language: English, ISBN 0470516348
- Fundamentals of Contemporary Mass Spectrometry
- Chhabil Dass, 2007, ISBN 0471682292
- p. 68: "[mass resolution] is the inverse of resolving power (RP), given as RP=m/Δm"
- Proteomics in Practice: A Guide to Successful Experimental Design
- Reiner Westermeier, Tom Naven, Hans-Rudolf H??pker, Wiley, 2008, ISBN 3527319417
Early manuscripts defining resolution and/or resolving power
- F. Aston, Bakerian lecture. "A new mass-spectrograph and the whole number rule", Proc. R. Soc. London, 1927. http://dx.doi.org/10.1098/rspa.1927.0106
- "Its resolving power was sufficient to separate mass lines differing by about 1 in 130 and its accuracy of measurement was about 1 in 1000. […] It was finally decided that the increase of resolution could best be obtained by doubling the angles of electric and magnetic deflection, and sharpening the lines by the use of finer slits placed further apart, in addition special methods were considered for the necessary increase of accuracy in measurement. After numerous setbacks all these objects have been successfully carried out. The new instrument has five times the resolving power of the old one, far more than sufficient to separate the mass lines of the heaviest element known. Its accuracy is 1 in 10,000 which is just sufficient to give rough first order values of the divergences from whole numbers."
- F.W. Aston, "Atoms and their Packing Fractions", Nature, 120 (1927) 956-959. http://dx.doi.org/10.1038/120956a0
- "the resolution of the mass lines of the heavier elements […] resolving power was suflicient to separate mass lines differing by about 1 in 130, and its accuracy of measurement was about 1 in 1000. […] new instrument has five times the resolving power of the old one, far more than sufficient to separate the mass lines of the heaviest element known. Its accuracy is 1 in 10,000, […]"
- W. Bleakney, "A New Method of Positive Ray Analysis and Its Application to the Measurement of Ionization Potentials in Mercury Vapor," Phys. Rev., 34 (1929) 157-160. http://dx.doi.org/10.1103/PhysRev.34.157
- "While the resolving power of the analyzer is not particularly high, yet it has proved to be excellent for the purposes for which it was designed."
- F.W. Aston, The Isotopic Constitution and Atomic Weight of Lead from Different Sources, Proceedings of the Royal Society of London Series a-Containing Papers of a Mathematical and Physical Character, 140 (1933) 535-543. http://dx.doi.org/10.1098/rspa.1933.0087
- "a view to increasing resolving power […] Increased accuracy has been obtained, but full advantage cannot be taken of it until higher resolution is available on account of the inevitable error involved in measuring the distance between lines not of the same intensity"
- A.J. Dempster, New Methods in Mass Spectroscopy, Proceedings of the American Philosophical Society, 75 (1935) 755-767. http://dx.doi.org/
- "The main limitation to increased accuracy in mass determinations is in the comparatively small resolving power of the mass spectrographs hitherto used. On page 78 of "Mass Spectra and Isotopes," Aston says: "The resolving power is sufficient to separate lines differing by I in 6oo, . . . since the lines are irregularly curved and change in shape as one moves from one end of the spectrum to the other, it is impossible to assign positions to them relative to the fiducial spot with sufficient accuracy to approach the figure of I in 10,000 aimed at. This can only be done by measuring the distance between lines of approximately the same intensity and there- fore the same shape, when they are quite […] The spectra reproduced by Bainbridge 1 show a resolving power of approximately I in 200, that is, the image produced by the atoms of one element is so broad that the value obtained for the weight, if one side of the image is observed, differs by I in 200 from the weight obtained if the other side is used. Of course, the center is measured but some of the mass determinations given by Dr. Bainbridge involve esti- mating the center of the image with an accuracy of one hundredth of the width of the image. While the progress made by Dr. Aston and Dr. Bainbridge has been most re- markable, it is permissible to hope that an increase in sharp- ness of the images with a corresponding increase in resolving power would give a still greater precision in atomic mass determinations.close together. The accuracy of 1 in 1O,OOO estimated by Dr. Aston implies the judging of the centers, […] As explained in the introduction, this is primarily a problem of increased resolution with greater sharpness of the ion images. […] The resolving power with this comparatively wide slit is I in 1OOO."
Other IUPAC definitions of resolution
Gold Book
| GOLD BOOK DEFINITION
IUPAC. Compendium of Chemical Terminology, 2nd ed. (the Gold Book). Compiled by A. D. McNaught and A.Wilkinson. Blackwell Scientific Publications, Oxford (1997). |
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http://goldbook.iupac.org/R05319.html resolution (in optical spectroscopy) Wavenumber, wavelength or frequency difference of two still distinguishable lines in a spectrum. Source: Green Book, 2nd ed., p. 31
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| IUPAC Gold Book |
| Index of Gold Book Terms |
Gold Book
| GOLD BOOK DEFINITION
IUPAC. Compendium of Chemical Terminology, 2nd ed. (the Gold Book). Compiled by A. D. McNaught and A.Wilkinson. Blackwell Scientific Publications, Oxford (1997). |
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| http://goldbook.iupac.org/P04465.html
peak resolution, Rs (in chromatography) The separation of two peaks in terms of their average peak width at base (t R2 > t R1):
In the case of two adjacent peaks it may be assumed that w b1 ? w b2, and thus, the width of the second peak may be substituted for the average value:
Source: PAC, 1993, 65, 819 (Nomenclature for chromatography (IUPAC Recommendations 1993)) on page 847 Orange Book, p. 108 |
| IUPAC Gold Book |
| Index of Gold Book Terms |
Gold Book
| GOLD BOOK DEFINITION
IUPAC. Compendium of Chemical Terminology, 2nd ed. (the Gold Book). Compiled by A. D. McNaught and A.Wilkinson. Blackwell Scientific Publications, Oxford (1997). |
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resolution (in gas chromatography) http://goldbook.iupac.org/R05317.html A characteristic of the separation of two adjacent peaks. It may be expressed according to the equation:
where RAB is the resolution, dR (A) and dR (B) are the retention distances (time or volume) of each eluted component A and B, and wA and wB are the respective widths of each peak at its base. PAC, 1990, 62, 2167 (Glossary of atmospheric chemistry terms (Recommendations 1990)) on page 2211 |
| IUPAC Gold Book |
| Index of Gold Book Terms |
Gold Book
| GOLD BOOK DEFINITION
IUPAC. Compendium of Chemical Terminology, 2nd ed. (the Gold Book). Compiled by A. D. McNaught and A.Wilkinson. Blackwell Scientific Publications, Oxford (1997). |
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| http://goldbook.iupac.org/E02113.html
energy resolution (in radiochemistry) A measurement, at given energy, of the smallest difference between the energies of two particles or photons capable of being distinguished by a radiation spectrometer. Source: PAC, 1994, 66, 2513 (Nomenclature for radioanalytical chemistry (IUPAC Recommendations 1994)) on page 2519 |
| IUPAC Gold Book |
| Index of Gold Book Terms |