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SaveDiffFittingAscii v1¶
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¶
Properties¶
Name |
Direction |
Type |
Default |
Description |
|---|---|---|---|---|
InputWorkspace |
Input |
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