TERMITE: An R script for fast reduction of laser ablation inductively coupled plasma mass spectrometry data and its application to trace element measurements

Publikationstyp:
Zeitschriftenaufsatz
Metadaten:
Autoren
  • Simon A Mischel
  • Regina Mertz-Kraus
  • Klaus Peter Jochum
  • Denis Scholz
Autoren-URL
https://www.webofscience.com/api/gateway?GWVersion=2&SrcApp=fis-test-1&SrcAuth=WosAPI&KeyUT=WOS:000403145100001&DestLinkType=FullRecord&DestApp=WOS_CPL
DOI
10.1002/rcm.7895
eISSN
1097-0231
Externe Identifier
  • Clarivate Analytics Document Solution ID: EX3PU
  • PubMed Identifier: 28488735
ISSN
0951-4198
Ausgabe der Veröffentlichung
13
Zeitschrift
RAPID COMMUNICATIONS IN MASS SPECTROMETRY
Paginierung
1079 - 1087
Datum der Veröffentlichung
2017
Status
Published
Titel
TERMITE: An R script for fast reduction of laser ablation inductively coupled plasma mass spectrometry data and its application to trace element measurements
Sub types
  • Article
Ausgabe der Zeitschrift
31

Datenquelle: Web of Science (Lite)

Andere Metadatenquellen:
Abstract
<jats:sec><jats:title>Rationale</jats:title><jats:p>High spatial resolution Laser Ablation Inductively Coupled Plasma Mass Spectrometry (LA‐ICPMS) determination of trace element concentrations is of great interest for geological and environmental studies. Data reduction is a very important aspect of LA‐ICP‐MS, and several commercial programs for handling LA‐ICPMS trace element data are available. Each of these software packages has its specific advantages and disadvantages.</jats:p></jats:sec><jats:sec><jats:title>Methods</jats:title><jats:p>Here we present TERMITE, an <jats:styled-content>R</jats:styled-content> script for the reduction of LA‐ICPMS data, which can reduce both spot and line scan measurements. Several parameters can be adjusted by the user, who does not necessarily need prior knowledge in <jats:styled-content>R</jats:styled-content>. Currently, ten reference materials with different matrices for calibration of LA‐ICPMS data are implemented, and additional reference materials can be added by the user. TERMITE also provides an optional outlier test, and the results are provided graphically (as a pdf file) as well as numerically (as a csv file).</jats:p></jats:sec><jats:sec><jats:title>Results</jats:title><jats:p>As an example, we apply TERMITE to a speleothem sample and compare the results with those obtained using the commercial software GLITTER. The two programs give similar results. TERMITE is particularly useful for samples that are homogeneous with respect to their major element composition (in particular for the element used as an internal standard) and when many measurements are performed using the same analytical parameters. In this case, data evaluation using TERMITE is much faster than with all other available software, and the concentrations of more than 100 single spot measurements can be calculated in less than a minute.</jats:p></jats:sec><jats:sec><jats:title>Conclusions</jats:title><jats:p>TERMITE is an open‐source software for the reduction of LA‐ICPMS data, which is particularly useful for the fast, reproducible evaluation of large datasets of samples that are homogeneous with respect to their major element composition. Copyright © 2017 John Wiley &amp; Sons, Ltd.</jats:p></jats:sec>
Autoren
  • Simon A Mischel
  • Regina Mertz‐Kraus
  • Klaus Peter Jochum
  • Denis Scholz
DOI
10.1002/rcm.7895
eISSN
1097-0231
ISSN
0951-4198
Ausgabe der Veröffentlichung
13
Zeitschrift
Rapid Communications in Mass Spectrometry
Sprache
en
Online publication date
2017
Paginierung
1079 - 1087
Datum der Veröffentlichung
2017
Status
Published
Herausgeber
Wiley
Herausgeber URL
http://dx.doi.org/10.1002/rcm.7895
Datum der Datenerfassung
2023
Titel
TERMITE: An R script for fast reduction of laser ablation inductively coupled plasma mass spectrometry data and its application to trace element measurements
Ausgabe der Zeitschrift
31

Datenquelle: Crossref

Abstract
<h4>Rationale</h4>High spatial resolution Laser Ablation Inductively Coupled Plasma Mass Spectrometry (LA-ICPMS) determination of trace element concentrations is of great interest for geological and environmental studies. Data reduction is a very important aspect of LA-ICP-MS, and several commercial programs for handling LA-ICPMS trace element data are available. Each of these software packages has its specific advantages and disadvantages.<h4>Methods</h4>Here we present TERMITE, an R script for the reduction of LA-ICPMS data, which can reduce both spot and line scan measurements. Several parameters can be adjusted by the user, who does not necessarily need prior knowledge in R. Currently, ten reference materials with different matrices for calibration of LA-ICPMS data are implemented, and additional reference materials can be added by the user. TERMITE also provides an optional outlier test, and the results are provided graphically (as a pdf file) as well as numerically (as a csv file).<h4>Results</h4>As an example, we apply TERMITE to a speleothem sample and compare the results with those obtained using the commercial software GLITTER. The two programs give similar results. TERMITE is particularly useful for samples that are homogeneous with respect to their major element composition (in particular for the element used as an internal standard) and when many measurements are performed using the same analytical parameters. In this case, data evaluation using TERMITE is much faster than with all other available software, and the concentrations of more than 100 single spot measurements can be calculated in less than a minute.<h4>Conclusions</h4>TERMITE is an open-source software for the reduction of LA-ICPMS data, which is particularly useful for the fast, reproducible evaluation of large datasets of samples that are homogeneous with respect to their major element composition. Copyright © 2017 John Wiley & Sons, Ltd.
Addresses
  • Institute for Geosciences, Johannes Gutenberg University of Mainz, J.-J.-Becher Weg 21, 55128, Mainz, Germany.
Autoren
  • Simon A Mischel
  • Regina Mertz-Kraus
  • Klaus Peter Jochum
  • Denis Scholz
DOI
10.1002/rcm.7895
eISSN
1097-0231
Externe Identifier
  • PubMed Identifier: 28488735
Funding acknowledgements
  • Deutsche Forschungsgemeinschaft: SCHO 1274/3‐1 and SCHO 1274/9‐1
  • Deutsche Forschungsgemeinschaft: SCHO 1274/9‐1
  • Deutsche Forschungsgemeinschaft: SCHO 1274/3‐1
Open access
false
ISSN
0951-4198
Ausgabe der Veröffentlichung
13
Zeitschrift
Rapid communications in mass spectrometry : RCM
Sprache
eng
Medium
Print
Paginierung
1079 - 1087
Datum der Veröffentlichung
2017
Status
Published
Datum der Datenerfassung
2017
Titel
TERMITE: An R script for fast reduction of laser ablation inductively coupled plasma mass spectrometry data and its application to trace element measurements.
Sub types
  • Journal Article
Ausgabe der Zeitschrift
31

Datenquelle: Europe PubMed Central

Abstract
RATIONALE: High spatial resolution Laser Ablation Inductively Coupled Plasma Mass Spectrometry (LA-ICPMS) determination of trace element concentrations is of great interest for geological and environmental studies. Data reduction is a very important aspect of LA-ICP-MS, and several commercial programs for handling LA-ICPMS trace element data are available. Each of these software packages has its specific advantages and disadvantages. METHODS: Here we present TERMITE, an R script for the reduction of LA-ICPMS data, which can reduce both spot and line scan measurements. Several parameters can be adjusted by the user, who does not necessarily need prior knowledge in R. Currently, ten reference materials with different matrices for calibration of LA-ICPMS data are implemented, and additional reference materials can be added by the user. TERMITE also provides an optional outlier test, and the results are provided graphically (as a pdf file) as well as numerically (as a csv file). RESULTS: As an example, we apply TERMITE to a speleothem sample and compare the results with those obtained using the commercial software GLITTER. The two programs give similar results. TERMITE is particularly useful for samples that are homogeneous with respect to their major element composition (in particular for the element used as an internal standard) and when many measurements are performed using the same analytical parameters. In this case, data evaluation using TERMITE is much faster than with all other available software, and the concentrations of more than 100 single spot measurements can be calculated in less than a minute. CONCLUSIONS: TERMITE is an open-source software for the reduction of LA-ICPMS data, which is particularly useful for the fast, reproducible evaluation of large datasets of samples that are homogeneous with respect to their major element composition. Copyright © 2017 John Wiley & Sons, Ltd.
Date of acceptance
2017
Autoren
  • Simon A Mischel
  • Regina Mertz-Kraus
  • Klaus Peter Jochum
  • Denis Scholz
Autoren-URL
https://www.ncbi.nlm.nih.gov/pubmed/28488735
DOI
10.1002/rcm.7895
eISSN
1097-0231
Ausgabe der Veröffentlichung
13
Zeitschrift
Rapid Commun Mass Spectrom
Sprache
eng
Country
England
Paginierung
1079 - 1087
Datum der Veröffentlichung
2017
Status
Published
Datum, an dem der Datensatz öffentlich gemacht wurde
2018
Titel
TERMITE: An R script for fast reduction of laser ablation inductively coupled plasma mass spectrometry data and its application to trace element measurements.
Sub types
  • Journal Article
Ausgabe der Zeitschrift
31

Datenquelle: PubMed

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