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Title: Multivariate statistical analysis of concatenated time-of-flight secondary ion mass spectrometry spectral images: a complete description of the sample with one analysis.

Abstract

Time-of-flight secondary ion mass spectrometry (TOF-SIMS) instruments are capable of saving an entire mass spectrum at each pixel of an image, allowing for retrospective analysis of masses that were not selected for analysis during data collection. These TOF-SIMS spectral images contain a wealth of information, but few tools are available to assist the analyst in visualizing the entire raw data set and as a result, most of the data are not analyzed. Automated, nonbiased, multivariate statistical analysis (MVSA) techniques are useful for converting the massive amount of data into a smaller number of chemical components (spectra and images) that are needed to fully describe the TOF-SIMS measurement. Many samples require two back-to-back TOF-SIMS measurements in order to fully characterize the sample, one measurement of the fraction of positively charged secondary ions (positive ion fraction) and one measurement of the fraction of negatively charged secondary ions (negative ion fraction). Each measurement then needs to be individually evaluated. In this paper, we report the first MVSA analysis of a concatenated TOF-SIMS data set comprising positive ion and negative ion spectral images collected on the same region of a sample. MVSA of concatenated data sets provides results that are intuitive and fully describemore » the sample. The analytical insight provided by MVSA of the concatenated data set was not obtained when either polarity data set was analyzed separately.« less

Authors:
; ; ;  [1]
  1. (General Electric, Global Research Center, Niskayuna, NY)
Publication Date:
Research Org.:
Sandia National Laboratories
Sponsoring Org.:
USDOE
OSTI Identifier:
951712
Report Number(s):
SAND2004-4976J
TRN: US200913%%22
DOE Contract Number:  
AC04-94AL85000
Resource Type:
Journal Article
Journal Name:
Proposed for publication in Analytical Chemistry.
Additional Journal Information:
Journal Name: Proposed for publication in Analytical Chemistry.
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; ANIONS; CATIONS; MASS SPECTROSCOPY; SPECTRA; TIME-OF-FLIGHT MASS SPECTROMETERS; MULTIVARIATE ANALYSIS

Citation Formats

Ohlhausen, James Anthony, Kotula, Paul Gabriel, Keenan, Michael Robert, and Smentkowski, Vincent S. Multivariate statistical analysis of concatenated time-of-flight secondary ion mass spectrometry spectral images: a complete description of the sample with one analysis.. United States: N. p., 2004. Web.
Ohlhausen, James Anthony, Kotula, Paul Gabriel, Keenan, Michael Robert, & Smentkowski, Vincent S. Multivariate statistical analysis of concatenated time-of-flight secondary ion mass spectrometry spectral images: a complete description of the sample with one analysis.. United States.
Ohlhausen, James Anthony, Kotula, Paul Gabriel, Keenan, Michael Robert, and Smentkowski, Vincent S. Wed . "Multivariate statistical analysis of concatenated time-of-flight secondary ion mass spectrometry spectral images: a complete description of the sample with one analysis.". United States.
@article{osti_951712,
title = {Multivariate statistical analysis of concatenated time-of-flight secondary ion mass spectrometry spectral images: a complete description of the sample with one analysis.},
author = {Ohlhausen, James Anthony and Kotula, Paul Gabriel and Keenan, Michael Robert and Smentkowski, Vincent S.},
abstractNote = {Time-of-flight secondary ion mass spectrometry (TOF-SIMS) instruments are capable of saving an entire mass spectrum at each pixel of an image, allowing for retrospective analysis of masses that were not selected for analysis during data collection. These TOF-SIMS spectral images contain a wealth of information, but few tools are available to assist the analyst in visualizing the entire raw data set and as a result, most of the data are not analyzed. Automated, nonbiased, multivariate statistical analysis (MVSA) techniques are useful for converting the massive amount of data into a smaller number of chemical components (spectra and images) that are needed to fully describe the TOF-SIMS measurement. Many samples require two back-to-back TOF-SIMS measurements in order to fully characterize the sample, one measurement of the fraction of positively charged secondary ions (positive ion fraction) and one measurement of the fraction of negatively charged secondary ions (negative ion fraction). Each measurement then needs to be individually evaluated. In this paper, we report the first MVSA analysis of a concatenated TOF-SIMS data set comprising positive ion and negative ion spectral images collected on the same region of a sample. MVSA of concatenated data sets provides results that are intuitive and fully describe the sample. The analytical insight provided by MVSA of the concatenated data set was not obtained when either polarity data set was analyzed separately.},
doi = {},
journal = {Proposed for publication in Analytical Chemistry.},
number = ,
volume = ,
place = {United States},
year = {2004},
month = {9}
}