Man pages for szymczak-lab/preprocessHighResMS
Preprocessing of spectra data from high resolution mass spectrometry
| assign_features | Assign measured feature to theoretical features |
| chem_formula_2_adducts | Get adducts and isotopes for chemical formulas |
| combine_feature_intensities | Combine feature intensities of several spectra |
| compute_posterior_prob | Compute posterior probabilities for putative theoretical... |
| compute_prior_prob | Compute prior probabilities for putative theoretical features |
| correct_chem_formula | Correct chemical formulas |
| extract_feature_intensity | Extract intensities of specific features from a single... |
| find_hits | Find putative theoretical features for each measured feature |
| generate_connectivity_matrix | Generate connectivity matrices |
| get_info_adduct | Adduct calculations |
| get_info_isotopes | Isotope information |
| info.features | Feature information |
| load_spectrum | Load spectrum |
| prepare_data_for_annotation | Prepare input for annotation |
| remove_features | Remove features based on different criteria |
| se.example | Feature level metabolomics data |
| summarize_metabolites | Summarize feature based data into metabolite based data |
