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README.md

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-This is the first variant of the GC-EI-MS synthetic dataset generated by NEIMS and RASSP models from 4.8 million structures downloaded from ZINC. The overlap with version 2 is 
-approximately 8k structures (negligible)
+This is the first variant of the GC-EI-MS synthetic dataset generated by NEIMS and RASSP models from 4.8 million structures downloaded from ZINC. 
+The overlap with version 2 is approximately 8k structures (negligible), so it's usable as an extension to synth2. 
+
+For generating this dataset, we used the original NEIMS model downloaded from the official [NEIMS] repository. Since the [RASSP] model is not publicly available,
+we trained our own.
+
+## Dataset choice
+If you're choosing between synth1 and synth2 (and don't need both), choose synth2. Its origin is better documented, custom-NEIMS spectra are of better quality
+and the NIST train sets for training the NEIMS and RASSP models (that generated synth2) are identical. Plus we make the NIST splits available in our [GitHub repository] (#TODO))
+
+
+[NEIMS]: https://github.com/brain-research/deep-molecular-massspec
+[RASSP]: https://github.com/thejonaslab/rassp-public
+[GitHub repository]: TODO