| readMTZ {cry} | R Documentation |
Load an MTZ file
Description
Reads mtz files and store both header information and reflection data records in named lists. A third list is used, if the mtz file is an unmerged file, for storing batch headers.
Usage
readMTZ(filename, message = FALSE)
Arguments
filename |
A character string. The path to a valid mtz file. |
message |
A logical variable. If TRUE the
function prints a message highlighting data
included in the mtz file. Default value is
|
Value
A named list of length 3. The first element is
called "reflections" and is a dataframe with as
many columns as are included in the mtz file.
The name of each column of the dataframe coincides
with the name of the corresponding column in the mtz.
The second element is called "header" and is a named
list in which each name correspond to a valid field
in the mtz header (see details in
readMTZHeader).
The third element is called
"batch_header" and is a list with as many elements as
the number of batches (images) included in the mtz
file. Each list element is, itself, a named list
including all the useful variables stored in batch
headers. If no batch headers are contained in the file
(merged mtz), the batch_header element is NULL.
Examples
datadir <- system.file("extdata",package="cry")
filename <- file.path(datadir,"1dei_phases.mtz")
ltmp <- readMTZ(filename)
print(names(ltmp))
print(class(ltmp$reflections))
str(ltmp$reflections)
print(class(ltmp$header))
print(class(ltmp$batch_header))
refs <- ltmp$reflections
print(colnames(refs))
print(range(refs$H))