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Update analyses_test.mdx
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nicolejung authored Aug 30, 2023
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Expand Up @@ -23,7 +23,7 @@ The inline notation gives a short summary of the metadata and a list of all sign
- In a standard example, the metadata includes the type of the NMR measurement and further details in brackets. The details consist of the resonant frequency, the solvent in which the sample is dissolved and the temperature of the sample.
- If a solvent is used as reference (most common method), the reference shift has to be set to the available standards(Gottlieb et al. 1997), (Fulmer et al. 2010)
- If a solvent is used as standard and there are different options which signal to be used as reference (THF-d8, DMF-d7, ethanol-d6, pyridine-d5, toluene-d8), the used reference shift has to be added.
- If solvent ratios are used for the NMR experiment, the solvent types and ratio needs to be given. Please define the ratio by integration of the solvents in the NMR
- If solvent ratios are used for the NMR experiment, the solvent types and ratio needs to be given. Please define the ratio by integration of the solvents in the NMR. Please take care that the degree of deuteration is considered.
- Add the temperature at which the measurement was done (shift depends on the temperature).
- If TMS is used as a standard reference, then “TMS” has to be added (see example 4), it is assumed that the reference is set to 0.00 ppm.

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