The specific application described here is a targeted approach in which 1H NMR spectroscopy is employed for quantification. Due to sample complexity such as overlapping peaks, the quantification of a large amount of data remains very time consuming. However, we have developed a semi-automated process using the peak-fitting, macro, and scripting capabilities of NMR Workbook Suite which can be applied to a large series of data in a fast, reproducible manner. Outside of metabolomics, these techniques and tools will also find ready utility in fermentomics and other similar chemometric applications.