作者
Abdul-Hamid Emwas, Edoardo Saccenti, Xin Gao, Ryan T McKay, Vitor AP Martins Dos Santos, Raja Roy, David S Wishart
发表日期
2018/3
来源
Metabolomics
卷号
14
页码范围
1-23
出版商
Springer US
简介
1H NMR spectra from urine can yield information-rich data sets that offer important insights into many biological and biochemical phenomena. However, the quality and utility of these insights can be profoundly affected by how the NMR spectra are processed and interpreted. For instance, if the NMR spectra are incorrectly referenced or inconsistently aligned, the identification of many compounds will be incorrect. If the NMR spectra are mis-phased or if the baseline correction is flawed, the estimated concentrations of many compounds will be systematically biased. Furthermore, because NMR permits the measurement of concentrations spanning up to five orders of magnitude, several problems can arise with data analysis. For instance, signals originating from the most abundant metabolites may prove to be the least biologically relevant while signals arising from the least abundant metabolites may prove to …
引用总数
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