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Figure 1 | SpringerPlus

Figure 1

From: A modified data normalization method for GC-MS-based metabolomics to minimize batch variation

Figure 1

The reference samples show batch variation. Same color coding was used to denotes those replicates within the same batch. (A) The PCA shows grouping of different batches (B1 to B25) based on the sequence of analysis (green-blue-black-brown-red symbols). The samples analyzed after a new column change form a distinct cluster (red symbols). As expected, replicates within batches mostly cluster together. (B) The HCA also shows clustering based on the sequence of analysis (progression: first to last day of analysis). The last ~20% of samples (dark red in progression strips) were analyzed after a column change. Bottom scale bar shows the standardized metabolite levels. (C) The RSD values vary considerably among identified forage metabolites, and ranges from 7.8% (for GOX – glucose oxime hexakis (trimethylsilyl)) to as high as 174.9% (for AMEP – 2-Amino-4,6-bis(1,1-dimethylethyl)-phenol). In general, RSD is higher for metabolites at low concentration. Over 86% of the metabolites have their RSD values below 60%. The X-axis is the mean metabolite concentration relative to internal standard. See Additional file 2: Table S2 for the list of metabolites.

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