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Sökning: onr:"swepub:oai:lup.lub.lu.se:3eb98788-0223-4ba9-9e43-e85b281af822" > MSIWarp : A General...

LIBRIS Formathandbok  (Information om MARC21)
FältnamnIndikatorerMetadata
00004312naa a2200361 4500
001oai:lup.lub.lu.se:3eb98788-0223-4ba9-9e43-e85b281af822
003SwePub
008210111s2020 | |||||||||||000 ||eng|
024a https://lup.lub.lu.se/record/3eb98788-0223-4ba9-9e43-e85b281af8222 URI
024a https://doi.org/10.1021/acs.analchem.0c038332 DOI
040 a (SwePub)lu
041 a engb eng
042 9 SwePub
072 7a art2 swepub-publicationtype
072 7a ref2 swepub-contenttype
100a Eriksson, Jonatan O.u Lund University,Lunds universitet,Institutionen för biomedicinsk teknik,Institutioner vid LTH,Lunds Tekniska Högskola,Clinical Protein Science and Imaging,Forskargrupper vid Lunds universitet,Department of Biomedical Engineering,Departments at LTH,Faculty of Engineering, LTH,Lund University Research Groups4 aut0 (Swepub:lu)jo5130er
2451 0a MSIWarp : A General Approach to Mass Alignment in Mass Spectrometry Imaging
264 c 2020-12-02
264 1b American Chemical Society (ACS),c 2020
520 a Mass spectrometry imaging (MSI) is a technique that provides comprehensive molecular information with high spatial resolution from tissue. Today, there is a strong push toward sharing data sets through public repositories in many research fields where MSI is commonly applied; yet, there is no standardized protocol for analyzing these data sets in a reproducible manner. Shifts in the mass-to-charge ratio (m/z) of molecular peaks present a major obstacle that can make it impossible to distinguish one compound from another. Here, we present a label-free m/z alignment approach that is compatible with multiple instrument types and makes no assumptions on the sample's molecular composition. Our approach, MSIWarp (https://github.com/horvatovichlab/MSIWarp), finds an m/z recalibration function by maximizing a similarity score that considers both the intensity and m/z position of peaks matched between two spectra. MSIWarp requires only centroid spectra to find the recalibration function and is thereby readily applicable to almost any MSI data set. To deal with particularly misaligned or peak-sparse spectra, we provide an option to detect and exclude spurious peak matches with a tailored random sample consensus (RANSAC) procedure. We evaluate our approach with four publicly available data sets from both time-of-flight (TOF) and Orbitrap instruments and demonstrate up to 88% improvement in m/z alignment.
650 7a NATURVETENSKAPx Kemix Analytisk kemi0 (SwePub)104012 hsv//swe
650 7a NATURAL SCIENCESx Chemical Sciencesx Analytical Chemistry0 (SwePub)104012 hsv//eng
700a Sánchez Brotons, Alejandrou University of Groningen4 aut
700a Rezeli, Melindau Lund University,Lunds universitet,Institutionen för biomedicinsk teknik,Institutioner vid LTH,Lunds Tekniska Högskola,Clinical Protein Science and Imaging,Forskargrupper vid Lunds universitet,Department of Biomedical Engineering,Departments at LTH,Faculty of Engineering, LTH,Lund University Research Groups4 aut0 (Swepub:lu)elma-mrl
700a Suits, Franku IBM Australia Ltd4 aut
700a Markó-Varga, Györgyu Lund University,Lunds universitet,Institutionen för biomedicinsk teknik,Institutioner vid LTH,Lunds Tekniska Högskola,Clinical Protein Science and Imaging,Forskargrupper vid Lunds universitet,Department of Biomedical Engineering,Departments at LTH,Faculty of Engineering, LTH,Lund University Research Groups4 aut0 (Swepub:lu)akem-gmv
700a Horvatovich, Peteru Lund University,Lunds universitet,Institutionen för biomedicinsk teknik,Institutioner vid LTH,Lunds Tekniska Högskola,Department of Biomedical Engineering,Departments at LTH,Faculty of Engineering, LTH,University of Groningen4 aut0 (Swepub:lu)pe4034ho
710a Institutionen för biomedicinsk teknikb Institutioner vid LTH4 org
773t Analytical Chemistryd : American Chemical Society (ACS)g 92:24, s. 16138-16148q 92:24<16138-16148x 0003-2700x 1520-6882
856u http://dx.doi.org/10.1021/acs.analchem.0c03833x freey FULLTEXT
856u https://pubs.acs.org/doi/pdf/10.1021/acs.analchem.0c03833
8564 8u https://lup.lub.lu.se/record/3eb98788-0223-4ba9-9e43-e85b281af822
8564 8u https://doi.org/10.1021/acs.analchem.0c03833

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