Quick Overview #
The sample manager is a tool in KherveFitting which allows you to easily navigate between datasets in large volumes of spectra. You can move, edit, and toggle different spectra from within your file, and easily see which spectra corresponds to which sample set.
This document was prepared using KherveFitting version 1.64_25i30
Opening The Sample Manager #
To open the sample manager, either click the
icon, or go to view, sample manager from the top menu.
This will open a new window, and all the core levels of the currently loaded sample will be visible in grid format. Spectra can be quickly loaded into the viewing window by clicking on the name in the grid (green boxes).
Spectral Information #
Sample information can be obtained using the
button with a data block selected. This will open a new menu containing your experimental information including X-ray source, pass energy, dwell time, step size and much more.
Renaming Samples #
To rename a sample in the KherveFitting sample manager, go to the leftmost column and edit directly the box in grey for the row you wish to name. One you have named it, hit enter to save the name.
To rename a spectra, click on the spectra to activate it, then hit the abc button on the toolbar. This will bring up a new window, you can rename the spectra with a one word name. If you change the number on the end of the name, this will change the order in which your data appears in the sample manager.
Viewing Datasets/Spectra #
A single left mouse button click will preview the spectrum in line profile in the processing window. Use this to quickly look at your data. You can also use the keyboard arrow keys to quick scroll between samples and data.
Double clicking on a data block brings it into full view in the spectrum window, along with any associated peak models. You can also use any of these functions if you have selected a single spectrum, and they will all do the same thing: ![]()
Comparing Data/Spectra #
Select multiple spectra either by clicking on a column header to select everything in that column (or row for a row), or by holding CTRL and selecting blocks individually. With the blocks highlighted you wish to view, you have three options.
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The left option plots the raw spectra overlaid on each other.
The centre option plots the raw data overlaid on each other with an offset.
The right option plots the data AND fitting models with an offset.
Data Normalisation #
For normalisation, you have 4 options.
Normalisation off. Data is plotted as raw data.
Auto normalisation. Data is normalised by min-max.
Norm @ BE. Data is normalised to a single binding energy point – click on spectrum, hold SHIFT, and a line will appear. Position this line, and left click to set the BE point.
Normalisation to area. Normalised to match integrated areas.
Summing Data #
To sum data, click to highlight (either by clicking a column/row header to select all, or by using CTRL or SHIFT to multi-highlight), and use the SuM button. This will create a new block with the summed data.
Subtracting Data #
Select 2 or more spectra using by holding CTRL and selecting the blocks so they are highlighted blue (or hold SHIFT and click at either end of a range to select many), and click the SuB icon. You will see a second window appear asking which spectra you wish to subtract from which. After clicking subtract, a new block will appear in your sample manager containing the subtracted spectra.











