Notes

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• The results will come out with the most intense line set to 100%. This is standard practice in mass spectrometry and is not an error!
• The formula is case sensitive. So h2o will fail but H2O will work
• Correctly nested brackets [{()}] are OK: so [Mo(CO)4{P(OCH3)3}2] will work for instance
• Compound names and element names such as water or iron are not OK