Tools
Tools
Kilgour, DPA 
ORCID: https://orcid.org/0000-0002-3860-7532, Hughes, S, Kilgour, SL, Mackay, CL, Palmblad, M, Tran, BQ, Goo, YA, Ernst, RK, Clarke, DJ and Goodlett, DR,
2017.
Autopiquer - a robust and reliable peak detection algorithm for mass spectrometry.
Journal of The American Society for Mass Spectrometry, 28 (2), pp. 253-262.
ISSN 1044-0305
Preview |
Text
6668_Kilgour.pdf - Post-print Download (1MB) | Preview |
Abstract
We present a simple algorithm for robust and unsupervised peak detection by determining a noise threshold in isotopically resolved mass spectrometry data. Solving this problem will greatly reduce the subjective and time consuming manual picking of mass spectral peaks and so will prove beneficial in many research applications. The Autopiquer approach uses autocorrelation to test for the presence of (isotopic) structure in overlapping windows across the spectrum. Within each window, a noise threshold is optimized to remove the most unstructured data whilst keeping as much of the (isotopic) structure as possible. This algorithm has been successfully demonstrated for both peak detection and spectral compression on data from many different classes of mass spectrometer and for different sample types and this approach should also be extendible to other types of data that contain regularly spaced discrete peaks.
| Item Type: | Journal article |
|---|---|
| Publication Title: | Journal of The American Society for Mass Spectrometry |
| Creators: | Kilgour, D.P.A., Hughes, S., Kilgour, S.L., Mackay, C.L., Palmblad, M., Tran, B.Q., Goo, Y.A., Ernst, R.K., Clarke, D.J. and Goodlett, D.R. |
| Publisher: | Springer |
| Date: | February 2017 |
| Volume: | 28 |
| Number: | 2 |
| ISSN: | 1044-0305 |
| Identifiers: | Number Type 10.1007/s13361-016-1549-z DOI 62550 Other |
| Divisions: | Schools > School of Science and Technology |
| Record created by: | Jonathan Gallacher |
| Date Added: | 12 Dec 2016 10:36 |
| Last Modified: | 10 Oct 2019 11:00 |
| URI: | https://irep.ntu.ac.uk/id/eprint/29324 |
Actions (login required)
 |
Edit View |
Statistics
Views
Views per month over past year
Downloads
Downloads per month over past year
