Commit 5e4a927c authored by Adelene Lai's avatar Adelene Lai
Browse files

update README

parent 78b288f8
......@@ -25,11 +25,12 @@ Please cite the code in this repository as:
This repository contains Additional Supporting Information to the above manuscript. It contains all code and inputs used as described in detail in the Methods section of the manuscript. It is organised as:
| Subdirectory | Description |
| ---------------|:-------------------------------------------------------|
| `metfrag/` |.R script to run MetFrag as described in Methods section|
| `tps/` |generate a Suspect List of transformation products |
| `figures/` |visualise data and generate Figures 2, 3, 4, and 5 |
| Subdirectory | Description |
| ---------------|:---------------------------------------------------------------------------------------------|
| `figures/` |visualise data and generate Figures 2, 3, 4, and 5 |
| `metfrag/` |.R script to run MetFrag as described in Methods section |
| `tps/` |generate a curated Suspect List of TPs mined from PubChem & merged with list in the literature|
Besides all necessary input files and code, all outputs generated have also been included for completeness.
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