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ISIS Powder Diffraction Scripts - OSIRIS Reference

Creating OSIRIS Object

This method assumes you are familiar with A quick introduction to objects

To create a OSIRIS object the following parameters are required:

Optionally a configuration file may be specified if one exists using the following parameter:

See Using configuration files on YAML configuration files for more details

Example

from isis_powder.osiris import Osiris

calibration_dir = r"C:\path\to\calibration_dir"
output_dir = r"C:\path\to\output_dir"
config_dir = r"C:\path\to\config.yaml"

osiris_example = Osiris(user_name="Calib",
                        calibration_directory=calibration_dir,
                        output_directory=output_dir,
                        config_file=config_dir)

Methods

The following methods can be executed on a OSIRIS object:

For information on creating a OSIRIS object see: Creating OSIRIS Object

run_diffraction_focusing

The diffraction_focusing method allows a user to process a series of runs into a focused dSpace workspace. Whilst processing the runs the scripts can apply any corrections the user enables.

On OSIRIS the following parameters are required when executing create_vanadium:

Example

# Notice how the filename ends with .yaml
cal_mapping_file = r"C:\path\to\cal_mapping.yaml"

osiris_example.run_diffraction_focusing(run_number="119977-119988",
                                        merge_drange=True,
                                        subtract_empty_can=True,
                                        vanadium_normalisation=True,
                                        calibration_mapping_file=cal_mapping_file)

Calibration Mapping File

The calibration mapping file holds the mapping between run numbers, current label, offset filename, empty run numbers, and vanadium run numbers.

For more details on the calibration mapping file see: Cycle mapping files

The layout on OSIRIS should look as follows for each block:

 11-120:
 2  label: "1_1"
 3  offset_file_name: "offset_file.cal"
 4  vanadium_drange1 : "13"
 5  vanadium_drange2 : "14"
 6  vanadium_drange3 : "15"
 7  vanadium_drange4 : "16"
 8  vanadium_drange5 : "17"
 9  vanadium_drange6 : "18"
10  vanadium_drange7 : "19"
11  vanadium_drange8 : "20"
12  vanadium_drange9 : "21"
13  vanadium_drange10 : "22"
14  vanadium_drange11 : "23"
15  vanadium_drange12 : "24"
16  vanadium_run_numbers : "13-24"
17  empty_drange1 : "1"
18  empty_drange2 : "2"
19  empty_drange3 : "3"
20  empty_drange4 : "4"
21  empty_drange5 : "5"
22  empty_drange6 : "6"
23  empty_drange7 : "7"
24  empty_drange8 : "8"
25  empty_drange9 : "9"
26  empty_drange10 : "10"
27  empty_drange11 : "11"
28  empty_drange12 : "12"
29  empty_run_numbers : "1-12"

For each drange, any empty canisters and vanadium runs must be listed with the associated drange.

Parameters

The following parameters for OSIRIS are intended for regular use when using the ISIS Powder scripts.

calibration_directory

This parameter should be the full path to the calibration folder. Within the folder the following should be present:

  • Grouping .cal file

  • Folder(s) with the label name specified in mapping file (e.g. “1_1”) - Inside each folder should be the offset file with name specified in the mapping file

Example Input:

osiris_example = Osiris(calibration_directory=r"C:\path\to\calibration_dir", ...)

calibration_mapping_file

This parameter gives the full path to the YAML file containing the calibration mapping. For more details on this file see: Calibration Mapping File

Note: This should be the full path to the file including extension

Example Input:

# Notice the filename always ends in .yaml
osiris_example = Osiris(calibration_mapping_file=r"C:\path\to\file\calibration_mapping.yaml", ...)

config_file

The full path to the YAML configuration file. This file is described in detail here: Using configuration files It is recommended to set this parameter at object creation instead of on a method as it will warn if any parameters are overridden in the scripting window.

Note: This should be the full path to the file including extension

Example Input:

# Notice the filename always ends in .yaml
osiris_example = Osiris(config_file=r"C:\path\to\file\configuration.yaml", ...)

do_van_normalisation

Indicates whether to divide the focused workspace within run_diffraction_focusing mode with an associated vanadium run.

Accepted values are: True or False

Example Input:

osiris_example = Osiris(do_van_normalisation=True, ...)

file_ext

Optional

Specifies a file extension to use for the run_diffraction_focusing method.

This should be used to process partial runs. When processing full runs (i.e. completed runs) it should not be specified as Mantid will automatically determine the best extension to use.

Note: A leading dot (.) is not required but is preferred for readability

Example Input:

osiris_example = Osiris(file_ext=".s01", ...)

merge_drange

Indicates whether to merge summed workspaces of different dranges after running the run_diffraction_focusing method.

Accepted values are: True or False

Example Input:

osiris_example = Osiris(merge_drange=True, ...)

output_directory

Specifies the path to the output directory to save resulting files into. The script will automatically create a folder with the label determined from the calibration_mapping_file and within that create another folder for the current user_name.

Within this folder processed data will be saved out in several formats.

Example Input:

osiris_example = Osiris(output_directory=r"C:\path\to\output_dir", ...)

run_number

Specifies the run number(s) to process when calling the run_diffraction_focusing method.

This parameter accepts a single value or a range of values with the following syntax:

- : Indicates an inclusive range of runs (e.g. 1-10 would process 1, 2, 3….8, 9, 10)

, : Indicates a gap between runs (e.g. 1, 3, 5, 7 would process run numbers 1, 3, 5, 7)

These can be combined like so: 1-3, 5, 8-10 would process run numbers 1, 2, 3, 5, 8, 9, 10.

In addition the input_mode parameter determines what effect a range of inputs has on the data to be processed

Example Input:

# Process run number 1, 3, 5, 6, 7
osiris_example = Osiris(run_number="1, 3, 5-7", ...)
# Or just a single run
osiris_example = Osiris(run_number=100, ...)

user_name

Specifies the name of the current user when creating a new OSIRIS object. This is only used when saving data to sort data into respective user folders.

Example Input:

osiris_example = Osiris(user_name="Mantid", ...)

subtract_empty_can

Provides the option to disable subtracting empty canister runs from the run being focused. Set to False to disable empty subtraction.

Example Input:

subtract_empty_can: True

Category: Techniques