橄榄油
离子迁移光谱法
Python(编程语言)
化学计量学
质谱法
色谱法
气相色谱法
气相色谱-质谱法
化学
计算机科学
食品科学
操作系统
作者
Joscha Christmann,Sascha Rohn,Philipp Weller
出处
期刊:Data in Brief
[Elsevier]
日期:2022-12-01
卷期号:45: 108730-108730
被引量:6
标识
DOI:10.1016/j.dib.2022.108730
摘要
Gas chromatography hyphenated with ion mobility spectrometry (GC-IMS) is an emerging benchtop technique for sensitive and selective detection of volatile organic compounds. It is commonly used for non-target screening (NTS) of complex sample materials, such as food products. Resulting spectra are used as "fingerprints" for multivariate chemometric data analysis to extract information. This has been successfully applied in the field of food fraud detection in several published studies. The presented dataset contains GC-IMS measurements of extra virgin olive oil samples from Spain, Italy, and Greece. It allows classification and class modelling to differentiate geographic origins and was used in the associated publication gc-ims-tools, a new Python package for chemometric analysis of GC-IMS data (https://doi.org/10.1016/j.foodchem.2022.133476) as an example to demonstrate the functionality.
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