Separate Metabolites into Likely Measurement Artifacts and True Metabolites
Plot Patterns of Missing Data Across Metabolites
Separates Metabolites into Likely True Metabolites and Likely Measurem...
Separate Untargeted Metabolites into Likely Artifacts and Likely True ...
Plot Distribution of Metabolite Quality Metrics for Each Split of Data
Simulated Metabolomics Data
Group Metabolites based on Pooled Plasma Missing Rate
Write Metabolomics Dataset of Standard Structure
Plot Pooled Plasma and Biological Sample Missing Rates
Read in a Metabolomics Dataset of Standard Structure
Calculate Longest Run of Blocks where Data is Present
Calculate Correlation of Missing Rates between Pooled Plasma and Biolo...
Retrieve Index of Biological Samples and Pooled Plasma Samples
Compute Missing Rates of Biological Samples and Pooled Plasma Samples
Split an untargeted metabolomics data set into a set of likely true metabolites and a set of likely measurement artifacts. This process involves comparing missing rates of pooled plasma samples and biological samples. The functions assume a fixed injection order of samples where biological samples are randomized and processed between intermittent pooled plasma samples. By comparing patterns of missing data across injection order, metabolites that appear in blocks and are likely artifacts can be separated from metabolites that seem to have random dispersion of missing data. The two main metrics used are: 1. the number of consecutive blocks of samples with present data and 2. the correlation of missing rates between biological samples and flanking pooled plasma samples.