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Debashish
France
5 Posts |
 Posted - 12/07/2020 : 08:51:20 AM
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Origin Ver.OriginPro 2021 and Service Release (Select Help-->About Origin):
Operating System:Windows10
Hello dear users and developers,
This is my first post.
I want to plot Time-averaged density contour maps/surface maps.
Basically, what it means is that I have an atom that is moving throughout my system of a cubic rectangular box. Obviously, because the atoms are moving, therefore it has (X, Y, Z) coordinates at every time frame. I am especially interested in plotting the atom's position in the 2D plane (XY)at some z slicing distance. Suppose, I want to have a contour plot of the atom's position in the 2D plane, XY, if the z value is between a given range, say (10.3-10.8). But the only catch is, that I want to plot the density/intensity of that particular atom at my desired abovementioned z values in the 2D XY plane, not the values of Z distance as it is. Imagine the basic concept of the histogram to plot density peaks? Just the same I am looking here.
I plotted this but I don't want the z to be displayed as it is, rather I want to plot the (intensity/probability density) of that particular atom in that region and project it in 2D XY plane.
Thanks in advance,
Debashish
https://my.originlab.com/ftp/forum_and_kbase/Images/my%20XYZ%20data.xlsx |
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Debashish
France
5 Posts |
Posted - 12/07/2020 : 08:54:18 AM
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YimingChen
1665 Posts |
Posted - 12/07/2020 : 09:45:05 AM
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Hi,
Can you do the following：
1. Add a filter to col(C) so that you can keep the data within certain z range say (10.3-10.8).
2. Select menu Statistics:Descriptive Statistics:2D Frequency Counts/Binning... . Use col(A) and col(B) as input to calculate the Percent Frequency and saved into a new sheet.
3. Then make the surface plot from the result sheet.
You can change the filter to any z range and then get updated density plot.
James
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Debashish
France
5 Posts |
Posted - 12/07/2020 : 11:29:42 AM
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Thank you YimingChen for the quick response. I think what would satisfy my need is to obtain a contour plot of just the intensity of my atom by selecting the filter in the z-direction (which is column C, like you said) and plot its intensity/frequency of occurrence in 2D XY plane.
I have just plotted my histogram of the Z coordinate (C cell). By checking the number of counts, it's evident that my atom prefers to stay in (10.58 to 10.60) most of the time. Can I get contour lines/plots for the same? where the color bar on the right side of the figure should tell us the intensity in terms of density/frequency rather than the z value?
Also, Can you tell me where I can find the percent frequency as you mentioned in point 2 of your mail.?
Here are the 2 pictures for your reference.
Thanks in advance,
Debashish  |
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YimingChen
1665 Posts |
Posted - 12/07/2020 : 11:57:11 AM
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My understanding is you would like to examine the density of the object in the xy plane within certain z range, which should be a 2D surface plot (2D density plot) similar to the histogram you plotted with z (1D density plot). The 2D Frequency Counts/Binning... tool is for that purpose. Can you confirm this?
To compute Percent Frequency, see below:
James |
Edited by - YimingChen on 12/07/2020 11:58:49 AM |
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Debashish
France
5 Posts |
Posted - 12/07/2020 : 2:44:34 PM
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Yes, I would like to examine the density of the object in the XY plane within a certain z range, i.e 2D surface plot (2D density plot).
Now which option should I use to plot the graph?
Thank you for your help.. You have been very helpful.
Debashish
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YimingChen
1665 Posts |
Posted - 12/07/2020 : 3:30:24 PM
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Hi,
Highlight the entire worksheet, select from menu Plot->3D->3D Colormap Surface with Projection... Use Bin Cetners of 'Z' as Y values, and use 1st column in selection as X column. Click OK to create the plot. You can refer to this page for further customization of the graph.
https://www.originlab.com/doc/Tutorials/3D-Colormap-Surface?f=dl
James
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Edited by - YimingChen on 12/07/2020 3:31:05 PM |
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Debashish
France
5 Posts |
Posted - 12/07/2020 : 6:35:18 PM
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Thank you so much.
Got some nice plots!!
quote:
Originally posted by YimingChen
Hi,
Highlight the entire worksheet, select from menu Plot->3D->3D Colormap Surface with Projection... Use Bin Cetners of 'Z' as Y values, and use 1st column in selection as X column. Click OK to create the plot. You can refer to this page for further customization of the graph.
https://www.originlab.com/doc/Tutorials/3D-Colormap-Surface?f=dl
James
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Time-averaged density contour maps/surface maps.