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SaveDiffFittingAscii v1

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Warning

SaveDiffFittingAscii is deprecated. Use EnggSaveSinglePeakFitResultsToHDF5 version 1 instead.

Summary

Saves the results to ASCII file after carrying out single peak fitting process or running EnggFitPeaks algorithm.

See Also

EnggFitPeaks, SaveAscii

Properties

Name	Direction	Type	Default	Description
InputWorkspace	Input	TableWorkspace	Mandatory	The name of the workspace containing the data you want to save to a TBL file
Filename	Input	string	Mandatory	The filename to use for the saved data. Allowed values: [‘.txt’, ‘.csv’, ‘’]
RunNumber	Input	string		Run number list of the focused files, which is used to generate the parameters table workspace
Bank	Input	string		Bank number list of the focused files, which is used to generate the parameters table workspace
OutMode	Input	string	AppendToExistingFile	Over write the file or append data to existing file. Allowed values: [‘AppendToExistingFile’, ‘OverwriteFile’]

Description

Saves a TableWorkspace containing Diffraction Fitting results as an ASCII file. All of the columns must be typed as ‘double’ in order to successfully save it as an ASCII file. A GroupWorkspace of TableWorkspace can also be saved where the run number and bank is provided manually as a list in the correct order.

The following TableWorkspace:

dSpacing	A0	A0_Err	A1	A1_Err	X0	X0_Err	A	A_Err	B	B_Err	S	S_Err	I	I_Err	Chi
1.6092	0.015160	5.41233	-1.93673e-06	0.00018	0.00018	5.8782518	0.021762	0.003330	0.023050	0.0035287	21.99236	7.1390246	521.0432	27.212413	3.0258827
1.6834	0.177540	5.41233	3.9826001041	0.00012	0.00018	30963.562	0.021762	94.09466	0.104790	44.493605	0.060733	24.092391	801.0639	23.93961	3.0258827
-0.05474	7.0641652	1.04e-05	-1.93673e-06	0.000194	36280.22	7.9724626	0.074861	0.0398539	0.022008	0.0009267	38.47428	5.1456557	6386.304	63.73136	3.2363716

becomes:

run number: 23424
bank: 1
dSpacing,A0,A0_Err,A1,A1_Err,X0,X0_Err,A,A_Err,B,B_Err,S,S_Err,I,I_Err,Chi
1.6092,0.01516,5.4123299999999999,-1.93673e-06,0.00018000000000000001,0.00018000000000000001,5.8782518000000001,0.021762,0.0033300000000000001,0.023050000000000001,0.0035287000000000001,21.992360000000001,7.1390245999999999,521.04319999999996,27.212413000000002,3.0258826999999999
1.6834,0.17754,5.4123299999999999,3.9826001040999999,0.00012,0.00018000000000000001,30963.562000000002,0.021762,4.0946689999999997,0.10478999999999999,44.493605000000002,0.060733000000000002,24.092390999999999,801.06389999999999,23.939609999999998,3.0258826999999999
-0.054739999999999997,7.0641651999999997,1.04e-05,-1.93673e-06,0.000194,36280.220000000001,7.9724626000000001,0.074860999999999997,0.039853899999999998,0.022008,0.00092670000000000003,38.47428,5.1456556999999998,6386.3040000000001,63.731360000000002,3.2363716

This is just an example table, the values may not be valid.

Limitations

The Algorithm will fail if any of the columns is not of type ‘double’.

Usage

Example - Save a TableWorkspace in Diffraction Fitting Table format

#import the os path libraries for directory functions
import os

# Create a table workspace with data to save.
ws = CreateEmptyTableWorkspace()
ws.addColumn("double", "dSpacing");
ws.addColumn("double", "A0");
ws.addColumn("double", "A0_Err");
ws.addColumn("double", "A1");
ws.addColumn("double", "A1_Err");
ws.addColumn("double", "X0");
ws.addColumn("double", "X0_Err");
ws.addColumn("double", "A");
ws.addColumn("double", "A_Err");
ws.addColumn("double", "B");
ws.addColumn("double", "B_Err");
ws.addColumn("double", "S");
ws.addColumn("double", "S_Err");
ws.addColumn("double", "I");
ws.addColumn("double", "I_Err");
ws.addColumn("double", "Chi");

nextRow = {'dSpacing': 1.6092, 'A0': 0.015160, 'A0_Err': 5.41233, 'A1': -1.93673e-06, 'A1_Err': 0.00018,
       'X0': 0.00018, 'X0_Err': 5.8782518, 'A': 0.021762, 'A_Err': 0.003330, 'B': 0.023050,
       'B_Err': 0.0035287, 'S': 21.99236, 'S_Err': 7.1390246, 'I': 521.0432, 'I_Err': 27.212413,
       'Chi': 3.0258827}
ws.addRow(nextRow)

nextRow = {'dSpacing': 1.6834, 'A0': 0.177540, 'A0_Err': 5.41233, 'A1': 3.9826001041, 'A1_Err': 0.00012,
       'X0': 0.00018, 'X0_Err': 30963.562, 'A': 0.021762, 'A_Err': 4.094669, 'B': 0.104790,
       'B_Err': 44.493605, 'S': 0.060733, 'S_Err': 24.092391, 'I': 801.0639, 'I_Err': 23.93961,
       'Chi': 3.0258827}
ws.addRow(nextRow)

nextRow = {'dSpacing': -0.05474, 'A0': 7.0641652, 'A0_Err': 1.04e-05, 'A1': -1.93673e-06, 'A1_Err': 0.000194,
       'X0': 36280.22, 'X0_Err': 7.9724626, 'A': 0.074861, 'A_Err': 0.0398539, 'B': 0.022008,
       'B_Err': 0.0009267, 'S': 38.47428, 'S_Err': 5.1456557, 'I': 6386.304, 'I_Err': 63.73136,
       'Chi': 3.2363716}
ws.addRow(nextRow)


#Create an absolute path by joining the proposed filename to a directory
#os.path.expanduser("~") used in this case returns the home directory of the current user
savefile = os.path.join(os.path.expanduser("~"), "FittingResults.txt")

# perform the algorithm
SaveDiffFittingAscii(InputWorkspace = ws, Filename=savefile, RunNumber="21344", Bank = "1",
OutMode = "AppendToExistingFile")

print("File Exists: {}".format(os.path.exists(savefile)))

Output:

File Exists: True

Categories: AlgorithmIndex | DataHandling\Text | Deprecated

Source

C++ header: SaveDiffFittingAscii.h

C++ source: SaveDiffFittingAscii.cpp