lr_reduction package

lr_reduction.background

lr_reduction.background.find_ranges_without_overlap(r1, r2)

Returns the part of r1 that does not contain r2 When summing pixels for reflectivity, include the full range, which means that for a range [a, b], b is included. The range that we return must always exclude the pixels included in r2.

lr_reduction.background.functional_background(ws, event_reflectivity, peak, bck, low_res, normalize_to_single_pixel=False, q_bins=None, wl_dist=None, wl_bins=None, q_summing=False)

lr_reduction.background.side_background(ws, event_reflectivity, peak, bck, low_res, normalize_to_single_pixel=False, q_bins=None, wl_dist=None, wl_bins=None, q_summing=False)

Original background substration done using two pixels defining the area next to the specular peak that are considered background.

lr_reduction.event_reduction

Event based reduction for the Liquids Reflectometer

class lr_reduction.event_reduction.EventReflectivity(scattering_workspace, direct_workspace, signal_peak, signal_bck, norm_peak, norm_bck, specular_pixel, signal_low_res, norm_low_res, q_min=None, q_step=-0.02, q_max=None, tof_range=None, theta=1.0, instrument=None, functional_background=False, dead_time=False, paralyzable=True, dead_time_value=4.2, dead_time_tof_step=100)

Bases: object

Event based reflectivity calculation. List of items to be taken care of outside this class: - Edge points cropping - Angle offset - Putting runs together in one R(q) curve - Scaling factors

DEFAULT_4B_SAMPLE_DET_DISTANCE = 1.83

DEFAULT_4B_SOURCE_DET_DISTANCE = 15.75

DELTA_KZ_VS_QZ = 3

INSTRUMENT_4A = 0

INSTRUMENT_4B = 1

KZI_VS_KZF = 1

QX_VS_QZ = 0

THETAF_VS_WL = 4

bck_subtraction(normalize_to_single_pixel=False, q_bins=None, wl_dist=None, wl_bins=None, q_summing=False)

Higher-level call for background subtraction. Hides the ranges needed to define the ROI.

extract_meta_data()

Extract meta data from the data file.

extract_meta_data_4A()

4A-specific meta data

extract_meta_data_4B()

4B-specific meta data

Distance from source to sample was 13.63 meters prior to the source to detector distance being determined with Bragg edges to be 15.75 m.

gravity_correction(ws, wl_list)

Gravity correction for each event

norm_bck_subtraction()

Higher-level call for background subtraction for the normalization run.

off_specular(x_axis=None, x_min=-0.015, x_max=0.015, x_npts=50, z_min=None, z_max=None, z_npts=-120, bck_in_q=None)

Compute off-specular :param x_axis: Axis selection :param x_min: Min value on x-axis :param x_max: Max value on x-axis :param x_npts: Number of points in x (negative will produce a log scale) :param z_min: Min value on z-axis (if none, default Qz will be used) :param z_max: Max value on z-axis (if none, default Qz will be used) :param z_npts: Number of points in z (negative will produce a log scale)

slice(x_min=0.002, x_max=0.004, x_bins=None, z_bins=None, refl=None, d_refl=None, normalize=False)

Retrieve a slice from the off-specular data.

specular(q_summing=False, tof_weighted=False, bck_in_q=False, clean=False, normalize=True)

Compute specular reflectivity.

For constant-Q binning, it’s preferred to use tof_weighted=True.

Parameters:

• q_summing – turns on constant-Q binning

• tof_weighted – if True, binning will be done by weighting each event to the DB distribution

• bck_in_q – if True, the background will be estimated in Q space using the constant-Q binning approach

• clean – if True, and Q summing is True, then leading artifact will be removed

• normalize – if True, and tof_weighted is False, normalization will be skipped

specular_unweighted(q_summing=False, normalize=True)

Simple specular reflectivity calculation. This is the same approach as the original LR reduction, which sums up pixels without constant-Q binning. The original approach bins in TOF, then rebins the final results after transformation to Q. This approach bins directly to Q.

specular_weighted(q_summing=True, bck_in_q=False)

Compute reflectivity by weighting each event by flux. This allows for summing in Q and to estimate the background in either Q or pixels next to the peak.

to_dict()

Returns meta-data to be used/stored.

lr_reduction.event_reduction.apply_dead_time_correction(ws, template_data)

Apply dead time correction, and ensure that it is done only once per workspace. :param ws: workspace with raw data to compute correction for :param template_data: reduction parameters

lr_reduction.event_reduction.compute_resolution(ws, default_dq=0.027, theta=None)

Compute the Q resolution from the meta data. :param theta: scattering angle in radians

lr_reduction.event_reduction.get_dead_time_correction(ws, template_data)

Compute dead time correction to be applied to the reflectivity curve. The method will also try to load the error events from each of the data files to ensure that we properly estimate the dead time correction. :param ws: workspace with raw data to compute correction for :param template_data: reduction parameters

lr_reduction.event_reduction.get_q_binning(q_min=0.001, q_max=0.15, q_step=-0.02)

Determine Q binning

lr_reduction.event_reduction.get_wl_range(ws)

Determine TOF range from the data :param workspace ws: workspace to work with

lr_reduction.output

Write R(q) output

class lr_reduction.output.RunCollection(average_overlap=False)

Bases: object

A collection of runs to assemble into a single R(Q)

add(q, r, dr, meta_data, dq=None)

Add a partial R(q) to the collection

add_from_file(file_path)

Read a partial result file and add it to the collection

merge()

Merge the collection of runs

save_ascii(file_path, meta_as_json=False)

Save R(Q) in ascii format

lr_reduction.output.read_file(file_path)

Read a data file and extract meta data

lr_reduction.peak_finding

lr_reduction.peak_finding.fit_signal_flat_bck(x, y, x_min=110, x_max=170, center=None, sigma=None)

lr_reduction.peak_finding.process_data(workspace, summed=True, tof_step=200)

lr_reduction.reduction_template_reader

RefRed template reader. Adapted from Mantid code.

class lr_reduction.reduction_template_reader.ReductionParameters

Bases: object

from_dict(data_dict, permissible=True)

Update object’s attributes with a dictionary with entries of the type attribute_name: attribute_value.

Parameters

permissible: bool

allow keys in data_dict that are not attribute names of ReductionParameters instances. Reading from data_dict will result in this instance having new attributes not defined in __init__()

Raises

ValueError

when permissible=False and one entry (or more) of the dictionary is not an attribute of this object

from_xml_element(instrument_dom)

Read in data from XML @param xml_str: text to read the data from

to_xml()

Create XML from the current data.

lr_reduction.reduction_template_reader.from_xml(xml_str)

Read in data from XML string

lr_reduction.reduction_template_reader.getBoolElement(dom, tag, true_tag='true', default=False)

lr_reduction.reduction_template_reader.getContent(dom, tag)

lr_reduction.reduction_template_reader.getFloatElement(dom, tag, default=None)

lr_reduction.reduction_template_reader.getFloatList(dom, tag, default=[])

lr_reduction.reduction_template_reader.getIntElement(dom, tag, default=None)

lr_reduction.reduction_template_reader.getIntList(dom, tag, default=[])

lr_reduction.reduction_template_reader.getStringElement(dom, tag, default='')

lr_reduction.reduction_template_reader.getStringList(dom, tag, _default=[])

lr_reduction.reduction_template_reader.getText(nodelist)

Utility method to extract text out of an XML node

lr_reduction.reduction_template_reader.to_xml(data_sets)

Create XML from the current data.

lr_reduction.template

Reduce a data run using a template generated by RefRed

lr_reduction.template.process_from_template(run_number, template_path, q_summing=False, normalize=True, tof_weighted=False, bck_in_q=False, clean=False, info=False)

The clean option removes leading zeros and the drop when doing q-summing

lr_reduction.template.process_from_template_ws(ws_sc, template_data, q_summing=False, tof_weighted=False, bck_in_q=False, clean=False, info=False, normalize=True, theta_value=None, ws_db=None)

lr_reduction.template.read_template(template_file, sequence_number)

Read template from file. @param sequence_number: the ID of the data set within the sequence of runs

lr_reduction.template.scaling_factor(scaling_factor_file, workspace, match_slit_width=True)

Apply scaling factor from reference scaling data @param workspace: Mantid workspace

lr_reduction.time_resolved

Time-resolved data reduction

lr_reduction.time_resolved.package_json_data(dynamic_run, dyn_data_dir, out_array=None)

lr_reduction.time_resolved.plot_slices(reduced, title, time_interval, file_path, offset=10, show=True)

lr_reduction.time_resolved.reduce_30Hz_from_ws(meas_ws_30Hz, ref_ws_30Hz, data_60Hz, template_data, scan_index=1, template_reference=None, q_summing=False)

Perform 30Hz reduction @param meas_ws_30Hz: Mantid workspace of the data we want to reduce @param ref_ws_30Hz: Mantid workspace of the reference data, take with the same config @param data_60Hz: reduced reference data at 60Hz @param template_data: template data object (for 30Hz) @param scan_index: scan index to use within the template.

lr_reduction.time_resolved.reduce_30Hz_slices(meas_run_30Hz, ref_run_30Hz, ref_data_60Hz, template_30Hz, time_interval, output_dir, scan_index=1, create_plot=True, template_reference=None, q_summing=False)

lr_reduction.time_resolved.reduce_30Hz_slices_ws(meas_ws_30Hz, ref_run_30Hz, ref_data_60Hz, template_30Hz, time_interval, output_dir, scan_index=1, create_plot=True, template_reference=None, q_summing=False)

Perform 30Hz reduction @param meas_ws_30Hz: workspace of the data we want to reduce @param ref_ws_30Hz: workspace of the reference data, take with the same config @param ref_data_60Hz: file path of the reduce data file at 60Hz @param template_30Hz: file path of the template file for 30Hz @param time_interval: time step in seconds @param scan_index: scan index to use within the template.

lr_reduction.time_resolved.reduce_60Hz_slices(meas_run, template_file, time_interval, output_dir, scan_index=1, create_plot=True)

lr_reduction.time_resolved.reduce_60Hz_slices_ws(meas_ws, template_file, time_interval, output_dir, scan_index=1, create_plot=True)

Perform 30Hz reduction @param meas_ws: workspace of the data we want to reduce @param template_file: autoreduction template file @param time_interval: time step in seconds @param scan_index: scan index to use within the template.

lr_reduction.utils

lr_reduction.utils.amend_config(new_config: dict = None, data_dir: str | list = None, data_dir_insert_mode: str = 'prepend') → None

Context manager to safely modify Mantid Configuration Service while the function is executed.

Parameters

new_config

(key, value) pairs to substitute in the configuration service

data_dir

prepend one (when passing a string) or more (when passing a list) directories to the list of data search directories. Alternatively, replace instead of prepend.

data_dir_insert_mode

How to insert the data directories. Options are: “prepend” (default) and “replace”.

lr_reduction.utils.mantid_algorithm_exec(algorithm_class, **kwargs)

lr_reduction.workflow

Autoreduction process for the Liquids Reflectometer

lr_reduction.workflow.assemble_results(first_run, output_dir, average_overlap=False, is_live=False)

Find related runs and assemble them in one R(q) data set

lr_reduction.workflow.reduce(ws, template_file, output_dir, average_overlap=False, q_summing=False, bck_in_q=False, is_live=False)

Function called by reduce_REFL.py, which lives in /SNS/REF_L/shared/autoreduce and is called by the automated reduction workflow.

If average_overlap is used, overlapping points will be averaged, otherwise they will be left in the final data file.

Parameters:

• average_overlap – if True, the overlapping points will be averaged

• q_summing – if True, constant-Q binning will be used

• bck_in_q – if True, and constant-Q binning is used, the background will be estimated along constant-Q lines rather than along TOF/pixel boundaries.

lr_reduction.workflow.reduce_explorer(ws, ws_db, theta_pv=None, center_pixel=145, db_center_pixel=145, peak_width=10)

lr_reduction.workflow.reduce_fixed_two_theta(ws, template_file, output_dir, average_overlap=False, q_summing=False, bck_in_q=False, peak_width=10, offset_from_first=True)

lr_reduction.workflow.write_template(seq_list, run_list, template_file, output_dir)

Read the appropriate entry in a template file and save an updated copy with the updated run number.