Author Topic: How to treat massive of data in CalcZAF?  (Read 2615 times)

Rom

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How to treat massive of data in CalcZAF?
« on: January 06, 2021, 07:26:06 PM »
Hello everyone,
Could you explain me, how to treat a lot of experimental points in CalcZAF. I obtained around 100 points (K-raw intensity ratio) for my samples and  I need to calculate weight concentrations from K-raw intensity ratio using different correction methods and compare results.
The explanation how to treat data "point by point" based just on two methods is given in
https://probesoftware.com/smf/index.php?topic=81.0
but I didn't find  any information about treatment of data massive.
Also I need to compare all 10 available methods of correction. How to get the full list of methods?

Thank you so much in advance





Probeman

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Re: How to treat massive of data in CalcZAF?
« Reply #1 on: January 06, 2021, 09:30:53 PM »
Hi Rom,
Not exactly sure what you mean by "treatment of data massive", but once you have a properly formatted input file (did you use the CalcZAF export menu from Probe for EPMA?), just use the CalcZAF Open Input Data File and Calculate/Export All menu.  Then you can calculate your 100 k-ratio measurements and export to Excel in a couple of mouse clicks.  If you want to compare the different matrix correction methods, just perform this operation for each matrix correction method and save to a different file.

In both CalcZAF and PFE you can also select the Use All Matrix Corrections checkbox option. But in CalcZAF it will do the quant calculation for each data point for each matrix correction, while in Probe for EPMA it will perform each matrix correction calculation for all data points and give you the averages also.  Are you working with Ron Rasch? The point being that it would be easier to do this comparison in Probe for EPMA which he can provide to you for data reprocessing.

Also please keep in mind that CalcZAF doesn't perform spectral interference, time dependent intensity (TDI), or area peak factor (APF) corrections, so again, Probe for EPMA would be better for reprocessing. See the Use All Matrix Corrections checkbox in the Analyze! window.
« Last Edit: January 07, 2021, 12:00:54 PM by Probeman »
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Rom

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Re: How to treat massive of data in CalcZAF?
« Reply #2 on: January 07, 2021, 08:03:05 PM »
Hello, Probeman,
Thank you so much for detailed explanation, it is very useful.
Yes, we are working with Ron Rash, but we are not in the same laboratory.
I will  contact him for further details.
And I have small question for you: could Probe for EPMA software can be installed on separate computer remotely (for processing data), or it should be installed just on computer connected to probe itself?

Thank you so much for your answers.

Probeman

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Re: How to treat massive of data in CalcZAF?
« Reply #3 on: January 07, 2021, 09:08:24 PM »
Hi Rom,
No connection to the probe computer is necessary for re-processing data.

You just need to install CalcZAF and Probe for EPMA on any remote computer, and then copy your MDB probe data file from the probe computer to your remote computer (copy both the .MDB file and the .BIM file if present), to the UserData folder (which will be created the first time you run CalcZAF or Probe for EPMA),  and then you can reprocess all the data from your probe run on the remote computer.

Ron should be able to provide you the .MSI files for installation.  Be sure to update both the CalcZAF and Probe for EPMA apps from the Help menu after installation.

See here for more details and let me know if you have any questions:

https://probesoftware.com/smf/index.php?topic=535.msg9660#msg9660
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Rom

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Re: How to treat massive of data in CalcZAF?
« Reply #4 on: November 29, 2021, 07:40:49 PM »
Hi Probeman,
I followed all your recommendations but not understood, how I can work with more then 1 point in CalcZaf.
I want to use 2 options:
1. use the CalcZAF export menu from Probe for EPMA - I saw just 1 point in CalcZaf table, how I can see more then one?
2. manually input to CalcZaf my data (from JEOL soft? for instance) - everything is clear if I calculated one point, but how I can calculate more then one.

Thank you a lot.


Probeman

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Re: How to treat massive of data in CalcZAF?
« Reply #5 on: November 30, 2021, 12:32:44 PM »
Hi Probeman,
I followed all your recommendations but not understood, how I can work with more then 1 point in CalcZaf.
I want to use 2 options:
1. use the CalcZAF export menu from Probe for EPMA - I saw just 1 point in CalcZaf table, how I can see more then one?
2. manually input to CalcZaf my data (from JEOL soft? for instance) - everything is clear if I calculated one point, but how I can calculate more then one.

Hi Rom,
I had to re-read this topic to see what you exactly are trying to accomplish and it seems you are wanting to re-calculate all analysis points in Probe for EPMA using all 10 matrix corrections. If that is what you want to do, why don't you just use the Use All Matrix Corrections" checkbox as described here:



and then click the Analyze! button and you'll get the output for the 10 matrix corrections in the log window:



Remember you can also combine points from multiple samples in PFE (up to 500 points) using these buttons:



As for CalcZAF, if you really want to re-process your PFE data in CalcZAF (why?), you can certainly export all the data using a right click in the Analyze! window or from the Output menu, but after importing your data into CalcZAF, it only displays one point at a time. Then use the Load Next Dataset From Input File, to see the next point.

To have CalcZAF re-calculate all the points in the imported DAT file, simply use this menu to open the .DAT file:



But I think you're better off just using Probe for EPMA.
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Rom

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Re: How to treat massive of data in CalcZAF?
« Reply #6 on: November 30, 2021, 03:56:31 PM »
Hi Probeman - thank you for show me the combine possibility.
But lets come back to my question.
I need to use CalcZaf for 2 option:
1. To recalculate data PFE software which were measured on a different Probe by different hands.
2. To recalculate data Jeol software which were measured on a different Probe by different hands.
In the both cases I have more then 1 point.
But if I right, I can not recalculate in CalcZaf more then 1 point for one time. Only point by point. Is it true?

Probeman

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Re: How to treat massive of data in CalcZAF?
« Reply #7 on: November 30, 2021, 04:53:35 PM »
But if I right, I can not recalculate in CalcZaf more then 1 point for one time. Only point by point. Is it true?

I repeat:

To have CalcZAF re-calculate *all* the points in the imported DAT file, simply use this menu to open the .DAT file:

« Last Edit: November 30, 2021, 06:53:27 PM by Probeman »
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Rom

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Re: How to treat massive of data in CalcZAF?
« Reply #8 on: December 01, 2021, 03:37:20 PM »
I done it, thank you.
And what next?
System did something and propose to save something.
OK.
But where I can find initial data and calculated results?

Probeman

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Re: How to treat massive of data in CalcZAF?
« Reply #9 on: December 01, 2021, 05:49:43 PM »
I done it, thank you.
And what next?
System did something and propose to save something.
OK.
But where I can find initial data and calculated results?

Results will be in the "save something". It also asks whether to export the "save something" results to Excel.
The only stupid question is the one not asked!

John Donovan

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Re: How to treat massive of data in CalcZAF?
« Reply #10 on: December 02, 2021, 09:14:31 AM »
It should also be pointed out that CalcZAF does *not* apply spectral interference or time dependent intensity (TDI) corrections to the raw data. Only Probe for EPMA performs those corrections.

However, if one is exporting raw k-ratios from Probe for EPMA to CalcZAF, the exported raw k-ratios *will* be already adjusted for spectral interference and TDI effects (if they are properly specified in the PFE database).

For example, here is a glass analysis with a relatively small TDI effect of around 5% relative on Na Ka:



When analyzed in PFE one gets a reasonable analysis and the TDI effects are corrected for as highlighted here:



When the raw k-ratios are exported to CalcZAF as seen here:



The calculated results from CalcZAF are essentially the same because the raw k-ratios were already corrected for these TDI effects as seen here:



The slight differences in the 4th decimal place are due to the different starting k-ratio values in the iteration convergence.
« Last Edit: December 02, 2021, 10:25:26 AM by John Donovan »
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Rom

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Re: How to treat massive of data in CalcZAF?
« Reply #11 on: December 05, 2021, 12:22:43 AM »
Thank you a lot but I saw something different.
1. I opened the file which created as John said (right click on sample in Analyse of PFE) - attach file scr1.
2. Appears notice "Open file to save ASCII data to" what does it mean?, I clicked save - attach file scr2.
3. Appears "results" without results - attach file scr3. There is no notice about save something in Excel.
Where I made a mistake?

If I use PFE calculation, everything is OK.

Probeman

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Re: How to treat massive of data in CalcZAF?
« Reply #12 on: December 05, 2021, 08:33:50 AM »
Thank you a lot but I saw something different.
1. I opened the file which created as John said (right click on sample in Analyse of PFE) - attach file scr1.

You used the CalcZAF File | Open Input File and Calculate/Export All menu to open the output file from Probe for EPMA?

2. Appears notice "Open file to save ASCII data to" what does it mean?, I clicked save - attach file scr2.

It means that you can name the results file and select the folder to save it to.  The default filename is the input filename with "_Export" appended to it. The default folder to save to is the current folder that the input file is in.  Yes, generally just click the Save button.

3. Appears "results" without results - attach file scr3. There is no notice about save something in Excel.
Where I made a mistake?

I do not know what "'results' without results" means.  Did you only export one line of data?

The results are in the export file you "saved to".  Just open the export file in any text editor, for example NotePad. It won't offer to open the export file in Excel, if Excel is not already installed on that computer.

Why don't you attach your output file from Probe for EPMA and your standard.mdb file to your next post in the forum and I will give it a try.
« Last Edit: December 05, 2021, 10:11:07 AM by Probeman »
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Rom

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Re: How to treat massive of data in CalcZAF?
« Reply #13 on: December 05, 2021, 04:40:10 PM »
1. Yes
2. Ok, thanks
3. There are 20 points in my data
Export file is empty (I tried to open it by NotePad).
Excel installed on that computer and was open.

3 files attach:
-scr 4 - PFE results;
-data file for CalcZaf;
-Standard file

Thank you for your help.

Probeman

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Re: How to treat massive of data in CalcZAF?
« Reply #14 on: December 05, 2021, 04:59:02 PM »
OK, the first thing I note is that the first data point of your input file generates an error that there are insufficient standard counts on the Zn standard. Do you get the same error? See attached.

Let's take this off-line because obviously there are standardization problems with your probe run. Please contact me at donovan@uoregon.edu.
« Last Edit: December 05, 2021, 05:01:06 PM by Probeman »
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