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Once the molecular descriptors have been computed for the dataset, different combinations of them should be analyzed in order to obtain a good quality model.
The poor quality model was obtained by setting a λ parameter to 3, the good quality model has a λ parameter equaling to 10 and λ in the excellent quality model was set to 30.
This approach concluded in a good quality model (see Figure S3 and Table S1).
These values, compared also with those of the template structures, indicate that a good quality model has been created.
Based on the analysis of 118 structures at resolution of at least 2.0 Angstroms and with the R-factor being no greater than 20%, over 90% of a good quality model would be expected in the most favored regions (Procheck program).
A good quality model would be expected to have over 90% in the most favored regions.
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A well designed identification experiment can generate good quality models while incurring significant costs.
In a more precise way, the statistical approach allows us to obtain a good quality modeling even if atypical data are present, while this situation leads to a bad quality of the modeling by the geostatistical approach.
This advance is particularly important in cases where one needs to select the best quality structures from a set of many similar and good quality models.
Emerging themes from the in-depth interviews are summarized in Table 2 and grouped under thematic areas: 'existing good quality models in the Medical Department'weaknessessses or challenges of quality improvement' and 'suggestions for improvement'.
However, the spatial distribution of internal temperature and extremely few samples makes it hard to build a good-quality model of this batch process.
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Since I tried Ludwig back in 2017, I have been constantly using it in both editing and translation. Ever since, I suggest it to my translators at ProSciEditing.

Justyna Jupowicz-Kozak
CEO of Professional Science Editing for Scientists @ prosciediting.com