References
TrianglePascal.py
- class MSPT.TrianglePascal.TPascal(verbose, threshold_value=0.02)
Bases:
object- calculate_biases()
Calculate bias between experimental ratio and theoretical values
- calculate_mean_biases()
Calculate means and SDs for the calculated biases
- calculate_mean_ratios()
Get the mean and standard deviation of each isotopologue ratio of a given metabolite between all samples
- calculate_ratios()
Calculate Area/Total_Area ratios for each row
- export_results(run_name, home, mean_ratios)
Export the final results table
- Parameters
run_name (str) – Name of the run (used for creating the end folder)
home (str) – Path to root
mean_ratios (Boolean) – Should means over all samples be calculated for the ratios
- static get_abundance(n, k, p)
Get the abundance of an isotopologue (k) in the isotopologic space of the molecule containing n carbons from the abundance (p) of labelled precursor
- Parameters
n (int) – Number of carbon atoms in the molecule
k (int) – Isotopologue
p (float) – Abundance of labelled precursor
- Returns
Abundance of isotopologue k
- static get_abundance_list(n, p)
Build a list of abundances for each carbon of the molecule
- Parameters
n (int) – number of carbons in the molecule
p (float) – Abundance of labelled precursor
- Returns
list of abundances for each isotopologue of the molecule
- get_isonumbs(precursor_abundance=0.513)
Calculate theoretical abundances of each isotopologue for each metabolite in each sample
- import_isocor_data(path)
Import the data from Isocor output file
- Parameters
path (str) – path to Isocor file
- prep_data()
Clean the data before performing calculations