Calculation of Theoretical Total Number of Reflections
Queen's University Protein Function Discovery
and Department of Biomedical and Molecular Sciences
Molecular Modelling and Crystallographic Computing Facility
Crystallography and Modelling:
Other:

Calculation of Theoretical Total Number of Reflections (ignoring symmetry)

The theoretical number of reflections to a given resolution limit is given by:

N = [(4/3)*pi*23 / lambda3] * V * (sin(theta_max))3, but sin(theta_max) = lambda/(2*d), so

N = [(4/3)*pi*23 / lambda3] * V * (lambda/2*d)3],

N = [(4/3)*pi*23 * V /(2*d)3]

    N = the expected number of reflections
    V = unitcell volume,
    d = high resolution limit for the data collection


a b c alpha beta gamma
High resolution limit Å

Volume of the cell: Å**3
Number of expected reflections:
To Do Additional Calculations: Change the appropriate values above and press CALCULATE again.

Last revised: Friday, 11-Mar-2016 17:35:24 EST