Crystallographic data reduction

  • How do you calculate redundancy in crystallography?

    If you take the number of Measured reflections divided by unique reflections you get the overall redundancy of the data set.
    Bigger unit cells have more unique reflections..

  • What is data reduction in analytics?

    Data reduction means the reduction on certain aspects of data, typically the volume of data.
    The reduction can also be on other aspects such as the dimensionality of data when the data is multidimensional.
    Reduction on any aspect of data usually implies reduction on the volume of data..

  • Rsym overall- Measures the agreement of symmetry related observations of a reflection.
    In this example, the symmetry related reflections agree to within 5.6%.
    Rsym in the last shell- Measureds the agreement of symmetry related observations in the highest resolution shell.
The authors may want to decrease the claimed resolution such that acceptable values are obtained for all metrics.” What scores can we use? “The crystallographic 
There are two broad ways of reducing serial crystallography data: compressing images and rejecting bad images. (Naturally, both of these methods can be applied to a data set.)

Do serial crystallography experiments produce a lot of data?

Serial crystallography experiments produce massive amounts of experimental data

Yet in spite of these large-scale data sets, only a small percentage of the data are useful for downstream analysis

Thus, it is essential to differentiate reliably between acceptable data (hits) and unacceptable data (misses)

How do you reduce serial crystallography data?

Related work There are two broad ways of reducing serial crystallography data: compressing images and rejecting bad images

(Naturally, both of these methods can be applied to a data set

) In turn, rejecting bad images can be done in two ways: using peak finding methods based on statistical frameworks, or machine learning

Chemical data page

This page provides supplementary chemical data on Ytterbium(III) chloride

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