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the conventional cell are: in monoclinic lattices, the twofold axes is along b and the final cell is right-handed with a <= c and beta >= 90 degrees. function call r = get_conventional_cell ( twofold : dict ... List of PyCrysFML08 Dictionaries List of PyCrysFML08 Functions Use get_conventional_cell computes the conventional cell from the ...

m_u ( u : ndarray , cell : dict ) Variable Type Description u ndarray ; dtype= float32 ; shape= 6 U values cell dict Unit cell. It must be a dictionary of type cell_g_type or cell_gls_type . It can be ... be generated with the function set_crystal_cell . r tuple The tuple returned by the function. r[0] : int , error code. If non-zero, an error has ...

get_betas_from_biso ( biso : float , cell : dict ) Variable Type Description biso float B_iso parameter cell dict Unit cell. It must be a dictionary of type cell_g_type or cell_gls_type . It can be generated ... generated with the function set_crystal_cell . r tuple The tuple returned by the function. r[0] : int , error code. If non-zero, an error ...

be used with optional arguments. cell dict Unit cell. It must be a dictionary of type cell_g_type or cell_gls_type . It can be generated with the function set_crystal_cell . kwargs dict Optional arguments ... USE h_s computes sin(theta) / lambda for a given reflection. function call r = h_s ( h : ndarray , cell : dict , kwargs : dict ) Variable ...

of the expected maximum number of reflections up to sintlmax for a volume volcell of the primitive cell. function call r = get_maxnumref ( sintlmax : float , volcell : float , kwargs : dict ) Variable Type ... Type Description sintlmax float Maximum value for sin(theta) / lambda. volcell float Primitive cell volume. kwargs dict Optional arguments. ...

change_setting_cell is used for change the setting of a given cell. function call r = change_setting_cell ( cell : dict , sett : ndarray | str , kwargs : dict ) Variable Type Description cell dict The unit ... unit cell to which apply the setting change. It must be a dictionary of type cell_g_type or cell_gls_type . It can be generated with the ...

PyCrysFML08 Dictionaries List of PyCrysFML08 Functions cell_gls_type is an extension of cell_g_type . It can be created with function set_ crystal_cell . Key Value Description lcell ndarray ; dtype= int32

Reference Home List of PyCrysFML08 Dictionaries List of PyCrysFML08 Functions cell_ls_type is an extension of cell_type . Key Value Description lcell ndarray ; dtype= int32 , shape= 3 Codes for refining

, the unit cell, a dictionary of type cell_g _type or cell_gls_type . If optional arguments sd_abc and / or sd_albega are present, the type returned is cell_gls_type . Otherwise, it is cell_g_type . examples ... List of PyCrysFML08 Functions Use set_crystal_cell is used for creating a dictionary of type cell_g_type or cell_gls_type . function call ...

Dictionaries List of PyCrysFML08 Functions cell_g_type is an extension of cell_type . It describes the crystal unit cell. It can be created with function set_ crystal_cell . Key Value Description bl_m ndarray ... shape= 3 Reciprocal cell angles: alpha*, beta* and gamma* rcell ndarray ; dtype= float32 , shape= 3 Reciprocal cell dimensions: a*,b*,c* ...