Getting started | 1. Overview UME data workflow | All of these tasks can be executed in just two steps: | Formula assignment and calculation of evaluation parameters | Formula filtering (subsetting) and normalization | Alternatively, the workflow can be performed in single steps: | 2. Visualization and statistics | 3. Re-calibration of peaklists | 4. UME core data objects | Mass Peak List | Isotopic masses | Molecular formula library | Using Pre-defined UME Formula Libraries | Create your own molecular formula library | Molecular formula data | 5. What else can you do with ume? | Calculate standard parameters | Converting molecular formulas to a table and vice versa. | Isotopes | Create isotope formulas for a parent formula | Create isotope pattern for a molecular formula | 6. Package content and documentation | Github for public releases of R code | All package versions on Zenodo | Which version is installed and loaded? | What is new? | Complete manual | 7. UME installation | 8. UME shiny app

Getting started | 1. Overview UME data workflow | All of these tasks can be executed in just two steps: | Formula assignment and calculation of evaluation parameters | Formula filtering (subsetting) and normalization | Alternatively, the workflow can be performed in single steps: | 2. Visualization and statistics | 3. Re-calibration of peaklists | 4. UME core data objects | Mass Peak List | Isotopic masses | Molecular formula library | Using Pre-defined UME Formula Libraries | Create your own molecular formula library | Molecular formula data | 5. What else can you do with ume? | Calculate standard parameters | Converting molecular formulas to a table and vice versa. | Isotopes | Create isotope formulas for a parent formula | Create isotope pattern for a molecular formula | 6. Package content and documentation | Github for public releases of R code | All package versions on Zenodo | Which version is installed and loaded? | What is new? | Complete manual | 7. UME installation | 8. UME shiny app