Leveraging R for advanced interpretation of LDI-TOF mass spectra: a computational approach
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00209805%3A_____%2F25%3A00080435" target="_blank" >RIV/00209805:_____/25:00080435 - isvavai.cz</a>
Alternative codes found
RIV/00216224:14410/25:00143487 RIV/00159816:_____/25:00082226
Result on the web
<a href="https://pubs.rsc.org/en/content/articlelanding/2025/ay/d5ay01246e" target="_blank" >https://pubs.rsc.org/en/content/articlelanding/2025/ay/d5ay01246e</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1039/d5ay01246e" target="_blank" >10.1039/d5ay01246e</a>
Alternative languages
Result language
angličtina
Original language name
Leveraging R for advanced interpretation of LDI-TOF mass spectra: a computational approach
Original language description
Mass spectrometric analysis of inorganic materials is widely used. However, no major advances have been made in this area compared to the significant progress in the analysis of biological materials. This work introduces a novel open-source R workflow that efficiently processes and models isotopic distributions in laser desorption ionisation time-of-flight mass spectrometry (LDI-TOF MS) analysis. Furthermore, it facilitates the comparison of modeled isotopic envelopes with experimental data and the selection of appropriate models that reveal the composition of complex experimental mass spectra. It overcomes the limitations of commercial software and opens new possibilities for the analysis of novel industrial materials.
Czech name
—
Czech description
—
Classification
Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
—
OECD FORD branch
10406 - Analytical chemistry
Result continuities
Project
Result was created during the realization of more than one project. More information in the Projects tab.
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)
Others
Publication year
2025
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Analytical Methods
ISSN
1759-9660
e-ISSN
1759-9679
Volume of the periodical
17
Issue of the periodical within the volume
41
Country of publishing house
GB - UNITED KINGDOM
Number of pages
5
Pages from-to
8502-8506
UT code for WoS article
001593355400001
EID of the result in the Scopus database
2-s2.0-105019817962