2.12.5 paMultiY

Contents

Menu Information

Batch Peak Analysis Using Theme

Brief Information

Perform batch processing of multiple spectra using peak analyzer theme

Command Line Usage

1. paMultiY iy:=[MultiplePeaks]Sheet1!(A,B:E) theme:="IntegratePeaks";

2. paMultiY iy:=[MultiplePeaks]Sheet1!(A,B:E) theme:="IntegratePeaks" number:=2 clear:=1;

3. paMultiY iy:=[MultiplePeaks]Sheet1!(A,B:E) theme:="myPeaksfit" initvalues:=1;

X-Function Execution Options

Please refer to the page for additional option switches when accessing the x-function from script

Variables

Display
Name 		Variable
Name 		I/O
and
Type 		Default
Value 		Description
Input iy

Input

XYRange

<active>
 Specify the input datasets. Note that beginning with Origin 2020b, there is a shortened syntax that follows the form [Book]Sheet!(X,Y1:YN), X = the common X column and Y1:YN = a contiguous range of Y columns to the right of the X column. More complex strings from non-contiguous data of the form [Book]Sheet!((X,Y1:YN),(X,YM:YO)) are also possible.
Theme theme

Input

string

<unassigned>
 Specify the theme that used to perform peak analysis.
Result Sheet append

Input

int

1
 The peak analysis on each dataset will generate a workbook. You can choose a worksheet in the workbook with this variable and the information in the worksheet will be appended to the Output Sheet.

Option list:

  • none:<none>
    With this option, peak analysis will be performed on each dataset but the data of the Result Sheet will not be appended to the Output Sheet.
  • integrate:Integrate Results
    It is available only when the theme is saved by using Integrate Peaks in Peak Analyzer.
  • baseline:Baseline
    It is available only when the theme is saved by using Create Baseline in Peak Analyzer.
  • peak_centers:Peak Centers
    It is available only when the theme is saved by using Find Peaks in Peak Analyzer.
  • peak_properties:Peak Properties
    It is available only when the theme is saved by using Fit Peaks in Peak Analyzer.
Include Fit Statistics in Report fitresult

Input

int

1
 Specify whether include the Fit statistics in the result report. It is invisible in GUI if append mode is by column.
Output Sheet ow

Output

Worksheet

[Summary]Results!
 Specify the worksheet for outputting the result of the peak analysis performed to each input dataset.
Delete Intermediate Result remove

Input

int

1
 Specify whether to delete the intermediate analysis outputs that are generated by performing the peak analysis on the input datasets.
Dataset Identifier dataid

Input

string

Range
 Specify full range, long name, units or user-defined parameters of input data as the dataset name in the summary report.
Designation desig

Input

string

<auto>
 Specify the resource of Dataset Identifier, decide to get it from the X column or Y column of the range
Starting Row of Output Sheet number

Input

int

1
 Specify the starting row of the Output worksheet from which the results are appended.
Clear Output Sheet on Start clear

Input

int

1
 Specify whether to clear the Output Sheet before appending results to it.
Append Label Rows (1st File) label

Input

int

0
 Specify whether to append label rows of the first Result Sheet into the Output Sheet.
Append by mode

Input

int

0
 Specify the way to append the data to Output Sheet.

Option list:

  • rows:Rows
    Append the data by rows.
  • cols:Columns
    Append the data by columns.
Sequentially Initialize Parameter Values initvalues

Input

int

0
 When this option is selected, the peak information saved in theme will only be applied to 1st dataset in the batch processing. subsequent dataset will use peak initialization values form previous dataset's fitting result.
Script Before Each Process beforescript

Input

string

<unassigned>
 Scripts in this edit box will be executed before peak analysis performed on each one of the input datasets.

Note that:

_rx refers to the range of i-th x dataset _ry refers to the range of i-th y dataset _skip determines if i-th file/dataset will be skipped

Script after Each Process loopscript

Input

string

<unassigned>
 The script in this edit box will be executed each time peak analysis is performed on one of the input datasets.

Note that: _i refers to the index of i-th file/dataset

Script at the End endscript

Input

string

<unassigned>
 The Scripts in this edit box will be executed after peak analysis has been performed on all of the input datasets.
Use Background Instance(s) to Process instance

Input

int

1
 Run multiple Origin processes to increase processing speed. We suggest to set the value to be the number of logical cores of your computer minus 1 to reach the maximum benefit. That is, if the number of logical cores is 8, set the value to be 7


To know the logical cores of your computer. type following script in the "Script Window" and press Enter to run it.
@logprocs=


Description

This X-Function performs peak fitting to multiple datasets with the same set of settings. The settings must be saved to a analysis theme file in advanced. Results perform to different datasets can be summarized in a summary worksheet.

Example

The following example will first create an analysis theme and then show you how to use this X-Function to perform peak analysis on multiple datasets.

This example shows you how to create an analysis theme in the Peak Analyzer and then use the theme

Create an Analysis Theme

  1. Create a worksheet and import the Multiple Peaks.data in the Samples\Curve Fitting folder.
  2. Highlight column B and select Analysis: Peak and Baseline: Peak Analyzer to open the Peak Analyzer.
  3. Select Integrate Peaks in the Goal group and then click the Next button 4 times to go to the Integrate Peaks page.
  4. Click the triangular button in the upper right corner of the dialog and select Save As. Type MyIntegratePeaks in the Theme Name edit box. Click the OK button to close this dialog and then click Finish to integrate peaks.

Perform Batch Processing with the Theme

Select the Multiple Peaks worksheet and highlight all the Y columns. Then select Analysis: Peak and Baseline: Batch Peak Analysis using Theme to open the dialog. Then set the dialog as the following image shows. Click the OK button to perform the analysis.

BatchPeakAnalysis.png

Related X-Functions

X-Function:BatchProcess, blauto, fitpeaks, pa, pkFind, NLfitpeaks

Keywords:spectrum, summary report