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SaveDiffFittingAscii dialog.
Table of Contents
Warning
SaveDiffFittingAscii is deprecated. Use EnggSaveSinglePeakFitResultsToHDF5 version 1 instead.
Saves the results to ASCII file after carrying out single peak fitting process or running EnggFitPeaks algorithm.
| 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’] |
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.
The Algorithm will fail if any of the columns is not of type ‘double’.
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