Chemometric strategy for automatic chromatographic peak detection and background drift correction in chromatographic data.
J Chromatogr A
; 1359: 262-70, 2014 Sep 12.
Article
em En
| MEDLINE
| ID: mdl-25108763
ABSTRACT
Peak detection and background drift correction (BDC) are the key stages in using chemometric methods to analyze chromatographic fingerprints of complex samples. This study developed a novel chemometric strategy for simultaneous automatic chromatographic peak detection and BDC. A robust statistical method was used for intelligent estimation of instrumental noise level coupled with first-order derivative of chromatographic signal to automatically extract chromatographic peaks in the data. A local curve-fitting strategy was then employed for BDC. Simulated and real liquid chromatographic data were designed with various kinds of background drift and degree of overlapped chromatographic peaks to verify the performance of the proposed strategy. The underlying chromatographic peaks can be automatically detected and reasonably integrated by this strategy. Meanwhile, chromatograms with BDC can be precisely obtained. The proposed method was used to analyze a complex gas chromatography dataset that monitored quality changes in plant extracts during storage procedure.
Palavras-chave
Texto completo:
1
Coleções:
01-internacional
Base de dados:
MEDLINE
Assunto principal:
Cromatografia Gasosa
/
Cromatografia Líquida
Tipo de estudo:
Diagnostic_studies
Idioma:
En
Revista:
J Chromatogr A
Ano de publicação:
2014
Tipo de documento:
Article