Published July 31, 2025 | Version v3
Lesson Open

Reporting uncertainty: an updated convention for organic chemists

Authors/Creators

  • 1. ROR icon University of Southampton

Contributors

Contact person:

Project member:

  • 1. ROR icon University of Southampton

Description

A primer describing steps for researchers to calculate and format mean values, confidence intervals, and impactful plots that describe the reproducibility of any numerical reaction outcome. The primer uses ‘yield’ as an exemplar outcome, but can be easily adapted for reporting the uncertainty associated with isolated or spectroscopic yield, de, or ee; as common reaction outcomes in organic chemistry.

We provide a code script (R) and accompanying 'how-to' that can be implemented by researchers WITH NO PRIOR CODING KNOWLEDGE. An exemplar that describes reaction yield for four reactions represented by (imagined) test data is provided for input to the code script in .csv format. The script outputs the mean outcome and confidence interval, alongside supporting plots.

Files

Primer.pdf

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Additional details

Funding

Engineering and Physical Sciences Research Council
EP/X032701/1

Dates

Submitted
2025-07