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Raw data

Started by Rom, April 26, 2023, 05:52:47 PM

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Rom

Hello everyone,
Here are 2 small questions:

1. Could you suggest how I can download raw intensities of unknowns which include background (BG intensity haven't been subtracted). If I try to do it through Output/User Specified Format..., the system ask me about standards which I haven't acquired. Of course I can upload fake standards but maybe you can suggest to me a simpler way.

2. Is this (see the picture) the raw data of intensities which include background or data excluding background?

Thank you!

Probeman

#1
Quote from: Rom on April 26, 2023, 05:52:47 PM
1. Could you suggest how I can download raw intensities of unknowns which include background (BG intensity haven't been subtracted). If I try to do it through Output/User Specified Format..., the system ask me about standards which I haven't acquired. Of course I can upload fake standards but maybe you can suggest to me a simpler way.

Yes, the User Specified Format output depends on having a complete analysis as that format supports many different kinds of data output, many of which require k-ratio calculations. For those interested in this output format which is available by right clicking the selected samples in the Analyze! window or from the Output menu for all standard or all unknowns, see here:

https://smf.probesoftware.com/index.php?topic=1317.msg9471#msg9471

But if you have no standard intensities in your probe database and you want raw data output without any corrections for dead time, beam current, or standard intensity drift you can simply uncheck these correction options in the Analytical | Analysis Options dialog as seen here:



The intensities will still be displayed in cps as that is how the intensities are stored in the probe database files. But of course you can get raw photons by multiplying by the counting time.

Once you have the intensities displayed in the log window, you can copy and paste from the log window or use the Copy buttons from the Analyze! window to copy to the system clipboard as seen here:

https://smf.probesoftware.com/index.php?topic=227.msg1065#msg1065

Note also that the Output | Output Standard and Unknown XY Plots menu also has output for raw on count (cps) intensities. Of course, now that I finished typing all this I also note that this is all explained in this post from 2014!

https://smf.probesoftware.com/index.php?topic=33.msg2155#msg2155

Quote from: Rom on April 26, 2023, 05:52:47 PM
2. Is this (see the picture) the raw data of intensities which include background or data excluding background?

Well, it's exactly as stated in your screenshot. Note that you don't need to post an image to display text output. One can simply use the "Tt" button on the "Post reply" dialog and then paste your text from the clipboard between the delimiters. This button is referred to as the "teletype" (look it up) delimiter, so the text is displayed without proportional spacing as seen here:

On-Peak (off-peak corrected) or EDS (bgd corrected) or MAN On-Peak X-ray Counts (cps):
ELEM:    fe ka   mn ka   BEAM1   BEAM2
BGD:       OFF     OFF
SPEC:        3       5
CRYST:    LLIF     LIF
ORDER:       1       1
1826G 4018.84    9.87  29.850  29.847
1827G 4001.57    9.97  29.843  29.838
1828G 4016.05    9.19  29.829  29.835
1829G 4004.69    9.40  29.839  29.862
1830G 4037.67    9.72  29.872  29.870

AVER:  4015.76    9.63
SDEV:    14.26     .33
1SIG:    10.07     .67
SIGR:     1.42     .49
SERR:     6.38     .15
%RSD:      .36    3.40

As the title (On-Peak (off-peak corrected) or EDS (bgd corrected) or MAN On-Peak X-ray Counts (cps)) indicates, the intensities displayed here are either corrected for off-peak intensities (if the were acquired as off-peak elements) or background corrected net intensities (if they were acquired as EDS elements) or as on-peak intensities if they were acquired as MAN elements.

Scrolling further down we have the interpolated off-peak intensities followed by the high and low off-peak intensities displayed as seen here:

Off-Peak (calculated) or EDS (bgd) X-ray Counts (cps):
ELEM:    fe ka   mn ka
TYPE:   LINEAR  LINEAR
1826G   39.37    7.90
1827G   38.41    7.90
1828G   38.33    8.06
1829G   38.46    8.65
1830G   38.21    8.75

Raw Hi-Peak X-ray Counts (cps):
ELEM:    fe ka   mn ka
1826G   40.30    7.40
1827G   36.40    7.50
1828G   36.60    6.90
1829G   37.20    8.60
1830G   36.90    8.50

Raw Hi-Peak X-ray Counts (cps):
ELEM:    fe ka   mn ka
1826G   38.30    8.40
1827G   40.70    8.30
1828G   40.30    9.20
1829G   39.90    8.70
1830G   39.70    9.00
The only stupid question is the one not asked!

Rom

Thank you for explanations but I don't understand how I can create the table of raw intensities (doesn't matter with or without DT and other corrections) which includes BG intensity.
I have no standard intensities and when I try to download only unknown(s) peak intensities (PrtScn 13), the system asks me about Standard intensity which I haven't (PrtScn 14).
Thank you.


Probeman

#3
As I said in my post above, why don't you simply acquire MAN element data, then use the Raw Data button to output the intensities to the Analyze! window, then use the Copy button to copy and paste into your Excel spreadsheet?

https://smf.probesoftware.com/index.php?topic=227.msg1065#msg1065

Alternatively, as mentioned previously, you can use the Output | Output Standard and Unknown XY Plots menu and select Output Data To ASCII (text) File option.

The only stupid question is the one not asked!

Rom

Now everything is clear, thank you!