کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1165046 1491015 2014 8 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Probabilistic peak detection for first-order chromatographic data
ترجمه فارسی عنوان
شناسایی اوج احتمالی برای داده های کروماتوگرافی درجه اول
کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی آنالیزی یا شیمی تجزیه
چکیده انگلیسی


• A novel algorithm for probabilistic peak detection in chromatography is proposed.
• The methodology follows a Bayesian inferential approach.
• Peak detection performance does not depend on the height of peaks.
• Probabilistic peak detection improves potential subsequent chemometric analysis.

We present a novel algorithm for probabilistic peak detection in first-order chromatographic data. Unlike conventional methods that deliver a binary answer pertaining to the expected presence or absence of a chromatographic peak, our method calculates the probability of a point being affected by such a peak. The algorithm makes use of chromatographic information (i.e. the expected width of a single peak and the standard deviation of baseline noise). As prior information of the existence of a peak in a chromatographic run, we make use of the statistical overlap theory. We formulate an exhaustive set of mutually exclusive hypotheses concerning presence or absence of different peak configurations. These models are evaluated by fitting a segment of chromatographic data by least-squares. The evaluation of these competing hypotheses can be performed as a Bayesian inferential task. We outline the potential advantages of adopting this approach for peak detection and provide several examples of both improved performance and increased flexibility afforded by our approach.

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ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Analytica Chimica Acta - Volume 817, 19 March 2014, Pages 9–16
نویسندگان
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