Change search
CiteExportLink to record
Permanent link

Direct link
Cite
Citation style
  • apa
  • ieee
  • modern-language-association-8th-edition
  • vancouver
  • Other style
More styles
Language
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Other locale
More languages
Output format
  • html
  • text
  • asciidoc
  • rtf
Exploiting the sample dimension to resolve ambiguities in chromatographic peak alignment
Stockholm University, Faculty of Science, Department of Environmental Science and Analytical Chemistry.
Stockholm University, Faculty of Science, Department of Environmental Science and Analytical Chemistry.
(English)In: Journal of Chemometrics, ISSN 0886-9383, E-ISSN 1099-128XArticle in journal (Refereed) Submitted
National Category
Analytical Chemistry
Research subject
Analytical Chemistry
Identifiers
URN: urn:nbn:se:su:diva-116818OAI: oai:DiVA.org:su-116818DiVA: diva2:808387
Available from: 2015-04-28 Created: 2015-04-28 Last updated: 2017-12-04Bibliographically approved
In thesis
1. Data analysis of non-targeted mass spectrometry experiments
Open this publication in new window or tab >>Data analysis of non-targeted mass spectrometry experiments
2015 (English)Doctoral thesis, comprehensive summary (Other academic)
Abstract [en]

Data processing tools are valuable to the analytical chemist as they can speed up the analysis, and sometimes solve problems that are not feasible to solve in a traditional manner. However, the complexity of many data processing tools can make their use daunting for the inexperienced user.

This thesis includes two applications and two tools for data processing. The first application focuses on minimizing the manual input, reducing the time required for a simple task. The second application required more manual input, in the form of parameter selection, but process far more data.  The data processing tools both include features that simplify the manual work required. The first by including visual diagnostics tools that helps in setting the parameters. The second via internal validation that makes the tool’s process more robust and reliable, and thereby less sensitive to small changes in the parameters.

No matter how good or precise a data processing tool is, if it is so cumbersome that it is not used by the analytical chemists that need it, it is useless. Therefore, the main focus of this thesis is to make data processing easier.

Place, publisher, year, edition, pages
Stockholm: Department of Environmental Science and Analytical Chemistry, Stockholm University, 2015
Keyword
Analytical chemistry, Chemometrics, mass spectrometry, HPLC, metabolomics
National Category
Analytical Chemistry
Research subject
Analytical Chemistry
Identifiers
urn:nbn:se:su:diva-116820 (URN)978-91-7649-175-1 (ISBN)
Public defence
2015-06-08, Magnelisalen, Kemiska övningslaboratoriet, Svante Arrhenius väg 16 B, Stockholm, 10:00 (English)
Opponent
Supervisors
Note

At the time of the doctoral defense, the following paper was unpublished and had a status as follows: Paper 4: Submitted.

Available from: 2015-05-15 Created: 2015-04-28 Last updated: 2015-05-25Bibliographically approved

Open Access in DiVA

No full text

Search in DiVA

By author/editor
Tengstrand, ErikÅberg, K. Magnus
By organisation
Department of Environmental Science and Analytical Chemistry
In the same journal
Journal of Chemometrics
Analytical Chemistry

Search outside of DiVA

GoogleGoogle Scholar

urn-nbn

Altmetric score

urn-nbn
Total: 43 hits
CiteExportLink to record
Permanent link

Direct link
Cite
Citation style
  • apa
  • ieee
  • modern-language-association-8th-edition
  • vancouver
  • Other style
More styles
Language
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Other locale
More languages
Output format
  • html
  • text
  • asciidoc
  • rtf