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Mass Spectral Library Quality Assurance by Inter-Library Comparison

Overview of attention for article published in Journal of the American Society for Mass Spectrometry, January 2017
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2 tweeters

Citations

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Readers on

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18 Mendeley
Title
Mass Spectral Library Quality Assurance by Inter-Library Comparison
Published in
Journal of the American Society for Mass Spectrometry, January 2017
DOI 10.1007/s13361-016-1589-4
Pubmed ID
Authors

William E. Wallace, Weihua Ji, Dmitrii V. Tchekhovskoi, Karen W. Phinney, Stephen E. Stein

Abstract

A method to discover and correct errors in mass spectral libraries is described. Comparing across a set of highly curated reference libraries compounds that have the same chemical structure quickly identifies entries that are outliers. In cases where three or more entries for the same compound are compared, the outlier as determined by visual inspection was almost always found to contain the error. These errors were either in the spectrum itself or in the chemical descriptors that accompanied it. The method is demonstrated on finding errors in compounds of forensic interest in the NIST/EPA/NIH Mass Spectral Library. The target list of compounds checked was the Scientific Working Group for the Analysis of Seized Drugs (SWGDRUG) mass spectral library. Some examples of errors found are described. A checklist of errors that curators should look for when performing inter-library comparisons is provided. Graphical Abstract ᅟ.

Twitter Demographics

The data shown below were collected from the profiles of 2 tweeters who shared this research output. Click here to find out more about how the information was compiled.

Mendeley readers

The data shown below were compiled from readership statistics for 18 Mendeley readers of this research output. Click here to see the associated Mendeley record.

Geographical breakdown

Country Count As %
United States 1 6%
Unknown 17 94%

Demographic breakdown

Readers by professional status Count As %
Unspecified 4 22%
Researcher 4 22%
Student > Ph. D. Student 4 22%
Student > Master 2 11%
Student > Bachelor 1 6%
Other 3 17%
Readers by discipline Count As %
Agricultural and Biological Sciences 7 39%
Unspecified 5 28%
Chemistry 3 17%
Linguistics 1 6%
Business, Management and Accounting 1 6%
Other 1 6%

Attention Score in Context

This research output has an Altmetric Attention Score of 1. This is our high-level measure of the quality and quantity of online attention that it has received. This Attention Score, as well as the ranking and number of research outputs shown below, was calculated when the research output was last mentioned on 03 April 2017.
All research outputs
#7,132,374
of 9,339,536 outputs
Outputs from Journal of the American Society for Mass Spectrometry
#611
of 1,168 outputs
Outputs of similar age
#188,425
of 261,107 outputs
Outputs of similar age from Journal of the American Society for Mass Spectrometry
#39
of 77 outputs
Altmetric has tracked 9,339,536 research outputs across all sources so far. This one is in the 13th percentile – i.e., 13% of other outputs scored the same or lower than it.
So far Altmetric has tracked 1,168 research outputs from this source. They receive a mean Attention Score of 1.9. This one is in the 30th percentile – i.e., 30% of its peers scored the same or lower than it.
Older research outputs will score higher simply because they've had more time to accumulate mentions. To account for age we can compare this Altmetric Attention Score to the 261,107 tracked outputs that were published within six weeks on either side of this one in any source. This one is in the 15th percentile – i.e., 15% of its contemporaries scored the same or lower than it.
We're also able to compare this research output to 77 others from the same source and published within six weeks on either side of this one. This one is in the 25th percentile – i.e., 25% of its contemporaries scored the same or lower than it.