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Difficult datasets: Difference between revisions
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The following suggestions apply not only to small-molecule datasets, but also to very weak or low-resolution, or otherwise difficult macromolecular datasets. | The following suggestions apply not only to small-molecule datasets, but also to very weak or low-resolution, or otherwise difficult macromolecular datasets. | ||
These datasets have few (or few strong) reflections per frame. Therefore, the multitude of parameters describing the diffraction experiment needs to be reduced (in refinement one would say: to avoid overfitting). This means that some parameters may need adjustment. | These datasets have few (or few strong, or few well-defined) reflections per frame. Therefore, the multitude of parameters describing the diffraction experiment needs to be reduced (in refinement one would say: to avoid overfitting). This means that some parameters may need adjustment. | ||
== optimizing the parameters for INTEGRATE == | == optimizing the parameters for INTEGRATE == | ||