% IMPORTANT: The following is UTF-8 encoded.  This means that in the presence
% of non-ASCII characters, it will not work with BibTeX 0.99 or older.
% Instead, you should use an up-to-date BibTeX implementation like “bibtex8” or
% “biber”.

@ARTICLE{Steffen:44369,
      author       = {Steffen, B. and Müller, K. P. and Komenda, M. and
                      Koppmann, R. and Schaub, A.},
      title        = {{A} new mathematical procedure to evaluate peaks in complex
                      chromatograms},
      journal      = {Journal of chromatography / A},
      volume       = {1071},
      issn         = {0021-9673},
      address      = {New York, NY [u.a.]},
      publisher    = {Science Direct},
      reportid     = {PreJuSER-44369},
      year         = {2005},
      note         = {Record converted from VDB: 12.11.2012},
      abstract     = {Automatic peak evaluation in chromatograms and subsequent
                      quantification of compound concentrations is still a
                      challenge in the analysis of complex samples containing
                      hundreds or thousands of compounds. Although a number of
                      software packages for peak evaluation exist, baseline
                      definition and overlapping peaks of different shapes are the
                      main reasons which prevent reliable automatic analysis of
                      complex chromatograms. A new mathematical procedure is
                      presented which uses peak shapes extracted from the
                      chromatogram itself and modified by nonlinear (in fact,
                      hyperbolic) stretching of the peak head and tail. With this
                      approach, the peak parameters are position, height, scale of
                      front, scale of tail, and smoothness of transition from
                      front to tail scaling. This approach is found to give a
                      substantially better fit than traditional analytically
                      defined peak shapes. Together with a good peak finding
                      heuristic and nonlinear optimization of parameters this
                      allows a reliable automatic analysis of chromatograms with a
                      large number of peaks, even with large groups of overlapping
                      peaks. The analysis matches the quality of standard
                      interactive methods, but still permits interactive
                      refinement. This approach has been implemented and tested on
                      a large set of data from chromatography of hydrocarbons in
                      ambient air samples. (c) 2004 Elsevier B.V. All rights
                      reserved.},
      keywords     = {J (WoSType)},
      cin          = {ICG-II / ZAM},
      ddc          = {540},
      cid          = {I:(DE-Juel1)VDB48 / I:(DE-Juel1)VDB62},
      pnm          = {Chemie und Dynamik der Geo-Biosphäre},
      pid          = {G:(DE-Juel1)FUEK257},
      shelfmark    = {Biochemical Research Methods / Chemistry, Analytical},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000228401300034},
      pubmed       = {pmid:15865199},
      doi          = {10.1016/j.chroma.2004.11.073},
      url          = {https://juser.fz-juelich.de/record/44369},
}