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So market correlation data cannot predict contagion.
Hence, a set of all feasible NMR correlation data (theoretical correlation data) can be derived from the molecular constitution.
Correlation data between experimental and estimated lives are found to lie within narrow scatter band.
The coefficient of determination between experimental and predicted (form correlation) data was 0.99.
We used differential arrival times obtained for the manually-picked and waveform correlation data.
Therefore all alternative constitutions generated with this data are "NMR-identical" with regard to correlation data.
Correlation data from 2D experiments should also lead to significant improvement, when available.
Comments: The use of only correlation data made the findings hard to interpret.
In this case NMR correlation data was able to define the constitution unambiguously.
It combines experimental full-field digital image correlation data and Williams' elastic model describing the crack-tip field.
This article describes the use of theoretical NMR correlation data in the structure elucidation process with WEBCOCON, not for the initial constitutional assignments, but to define how well a suggested molecule could have been described by NMR correlation data.
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