create_merged_reflections.default {cry} | R Documentation |
Default method for generic "create_merged_reflections"
Description
This method is an alternative call to 'merged_reflections'. .
Usage
## Default S3 method:
create_merged_reflections(
ruc = NULL,
csym = NULL,
records = NULL,
dtypes = NULL,
...
)
Arguments
ruc |
An object of class 'rec_unit_cell'. |
csym |
An object of class 'cryst_symm'. |
records |
A data frame containing all reflections coming from the x-ray data collection on the crystal. This data frame must include at least the three Miller indices, H, K, L (of dtype "H"). |
dtypes |
A character vector whose length is the same as the number of columns in 'records'. One character (a capital letter) is associated with each type of data. For example, a Miller index is of dtype "H"; a structure amplitude is of dtype "F"; an anomalous difference is of dtype "D"; etc (see details later). |
... |
Additional arguments passed to the create_merged_reflections methods. |
Value
An object of class "merged_reflections". It is a named list of length 4 whose names are:
- ruc
An object of class "rec_unit_cell".
- csym
An object of class "cryst_symm".
- records
A data frame containing the data.
- dtypes
A character vector containing the type of data (Miller indices, structure factors, etc).
See Also
Examples
# Create merged data for a cubic (10 angstrom) unit cell
# of space group P 2 3. Data up to 5 angstroms resolution
mrefs <- create_merged_reflections()
print(mrefs)