nmrglue.fileio.bruker.write_pdata

nmrglue.fileio.bruker.write_pdata(dir, dic, data, roll=False, shape=None, submatrix_shape=None, scale_data=False, bin_file=None, procs_files=None, write_procs=False, pdata_folder=False, overwrite=False, big=None, isfloat=None, restrict_access=True)

Write processed Bruker files to disk.

Parameters

dirstr

Directory to write files to.

dicdict

Dictionary of Bruker parameters.

dataarray_like

Array of NMR data

rollint

Number of points by which a circular shift needs to be applied to the data True will apply a circular shift of 1 data point

shapetuple, optional

Shape of data, if file is to be written with a shape different than data.shape

submatrix_shapetuple, optional

Shape of the submatrix used to store data (using Bruker specifications) If this is not given, the submatrix shape will be guessed from dic

scale_dataBool

Apply a reverse scaling using the scaling factor defined in procs file By default, the array to be written will not be scaled using the value in procs but will be e scaled so that the max intensity in that array will have a value between 2**28 and 2**29. scale_data is to be used when the array is itself a processed bruker file that was read into nmrglue

bin_filestr, optional

Filename of binary file in directory. None uses standard files.

procs_filelist, optional

List of filename(s) of procs parameter files (to write out). None uses a list of standard files

write_procsBool

True to write out the procs files

pdata_folderint, optional

Makes a folder and a subfolder (‘pdata/pdata_folder’) inside the given directory where pdata_folder is an integer. All files (procs and data) are stored inside pdata_folder. pdata_folder=False (or =0) does not make the pdata folder and pdata_folder=True makes folder ‘1’.

overwritebool, optional

Set True to overwrite files, False will raise a Warning if files exist.

bigbool or None, optional

Endianness of binary file. True for big-endian, False for little-endian, None to determine endianness from Bruker dictionary.

isfloatbool or None, optional

Data type of binary file. True for float64, False for int32. None to determine data type from Bruker dictionary.

restrict_accessnot implemented