Wish List for PFE Features

[John Donovan]

Hi John
Irrespective of how I go about skinning my cat, how's about thinking about my idea? I'm sure that when doing the acquired TDI, the standards would be in good condition (maybe), but the docs also state that this can be done for an unknown sample  similar or more or less the same in composition (matrix) as the actual unknowns. I thought it might be handy in this case to have an addition option for locality selection.
Cheers,
Malc.

Hi Malcolm,
It's not a bad idea.  It's similar to the increment x/y during wavelength scanning feature in PFE.

But this (assigned) TDI option is used by no one that I know of (except you) because it is only applicable to rare situations where the samples are completely homogeneous. And I've got about a dozen other very cool new ideas I'm implementing at the moment.

So just please, please, please use the self TDI and it will work fine for you.
john

[Philipp Poeml]

I wish that in standard.exe and there under interference calculations I could choose not only the element and the line, but also the crystal.

[Probeman]

I wish that in standard.exe and there under interference calculations I could choose not only the element and the line, but also the crystal.

You can change the "default" crystal (and x-ray line) for an element in the ELEMENTS.DAT file.

[Philipp Poeml]

Yes, I figured that out, but it is not very convenient, as it is necessary to restart standard.exe. We have several overlapping crystals, PET-QTZ and LiF-QTZ so I usually move elements around and evaluate the theoretical overlaps. The "default crystal" thing is fine, but for us there is usually no such thing as default crystal.

No way to get it implemented?

[John Donovan]

Yes, I figured that out, but it is not very convenient, as it is necessary to restart standard.exe. We have several overlapping crystals, PET-QTZ and LiF-QTZ so I usually move elements around and evaluate the theoretical overlaps. The "default crystal" thing is fine, but for us there is usually no such thing as default crystal.

No way to get it implemented?

Of course anything can be implemented.  It's just a question of taking time to do it and in such a way that it does what it needs to properly. I'll make a note of it, but let me think a bit about what might be the coolest way to implement it.

[Probeman]

Yes, I figured that out, but it is not very convenient, as it is necessary to restart standard.exe. We have several overlapping crystals, PET-QTZ and LiF-QTZ so I usually move elements around and evaluate the theoretical overlaps. The "default crystal" thing is fine, but for us there is usually no such thing as default crystal.

No way to get it implemented?

And of course you can also model spectral interferences in the Standard Assignments window as discussed in this post (see embedded pictures near the bottom of the post):

http://probesoftware.com/smf/index.php?topic=69.msg257#msg257

This calculation automatically utilizes whatever crystal you are currently using for acquisition/analysis.

[Philipp Poeml]

The advantahe of doing it in standard.exe is, that I can enter the composition of my unknown. Like U85 Pu4 O11. Then it takes into account that there is LOTS of U and only LITTLE Pu. This is important for me. However, then I need to fiddle around with my current setup in the Elements/Cations window. I'd prefer not to do that.

By the way the interference calculations in the element properties window do
1) not work for beta lines,
2) and do not show the offset in spectrometer units.
See image below.

[John Donovan]

The advantahe of doing it in standard.exe is, that I can enter the composition of my unknown. Like U85 Pu4 O11. Then it takes into account that there is LOTS of U and only LITTLE Pu. This is important for me. However, then I need to fiddle around with my current setup in the Elements/Cations window. I'd prefer not to do that.

By the way the interference calculations in the element properties window do
1) not work for beta lines,
2) and do not show the offset in spectrometer units.
See image below.

Hi Philippe,
It looks like it works for beta lines, as you have one displayed in your image!

Unlike Standard, the spectrometer reading in PFE is in absolute value, not offset.  I could change that to display in relative spectrometer offset values if you prefer.
john

Edit by John: Ok, I see why the Elements/Cations dialog nominal spectral interferences are not displayed in relative offsets...  they *are* displayed in relative offsets in the Standard Assignments dialog because the interference calculation there is for on-peak interferences.

But because the Element/Cations dialog is for *off-peak* interferences, there is a problem with what to reference the relative calculation to if the off-peaks are "same side" off-peaks!  So for now they will stay in absolute spectro units... and the topic is open for discussion.

[Philipp Poeml]

As you might have noticed it says:
"For Cs Lb     LiF at  2.66747 angstroms (66248) ..."

That IS the La peak position. It even calculates the interference with the Cs Lb line, see below. Where it also gives the correct value for the Lb line. The list value for Cs Lb is 66665.9 (2.6843 A) or on my spec it is "On-Peak" 66651.0.

Elighten me, if I am wrong.

As from my point of view, everything is quite ok, but being able to choose the crystal in standard.exe would be very helpful.

[Probeman]

As you might have noticed it says:
"For Cs Lb     LiF at  2.66747 angstroms (66248) ..."

That IS the La peak position. It even calculates the interference with the Cs Lb line, see below. Where it also gives the correct value for the Lb line. The list value for Cs Lb is 66665.9 (2.6843 A) or on my spec it is "On-Peak" 66651.0.

Elighten me, if I am wrong.

As from my point of view, everything is quite ok, but being able to choose the crystal in standard.exe would be very helpful.

Hi Philipp,
Ok, I see the source of your confusion.  First of all it appears you are using an edited file of x-ray line energies, which confused me a bit... 

But more importantly, when it says "For Cs Lb     LiF at  2.66747 angstroms (66248) ..."

The phrase "Cs Lb" doesn't mean the on-peak position of the Cs Lb, it means the off-peak position of Cs Lb.  In the screen shot below, because I clicked the "Low Off-Peak Interferences" button, it lists the interferences in the vicinity of the Cs Lb low off-peak position.  Which is exactly what one would like to see, correct?  If I had clicked the "Hi Off-Peak Interferences" button it would display the interferences around the Cs Lb high off peak position.



Does that make more sense?

I can fix the output so it states that more clearly.   Remember, in the Standard Assignments dialog is where you can see the on-peak interferences...

By the way, I just checked and one can change the default crystal for an element in Standard.exe.  The default crystal for that element will then "stick" for that Standard.exe session until the program is closed and will work for the nominal interference calculation in Standard as you asked for.

Do you not see this...? 

[Philipp Poeml]

Ok, I will check for these low-/high off peak things and report back if that is what I see too.

Can you show me where you change that crystal? I might be blind -- I have not found it yet.

Thanks
Philipp

[Probeman]

Ok, I will check for these low-/high off peak things and report back if that is what I see too.

Can you show me where you change that crystal? I might be blind -- I have not found it yet.

Thanks
Philipp

1. Open your standard database.

2. Select a standard.

3. Click the Standard | Modify menu

4. Click the element you want to change the default crystal for.

5. Click the crystal combo and select the new crystal.

6.  Click OK, OK again and Yes.

7. Go to the Options | Interferences menu and perform your nominal interference calculations using the new crystal.

[Heather Lowers]

I wish I could hit my JEOL stor button and it would add a single point to the run table!

[Philipp Poeml]

Can you show me where you change that crystal? I might be blind -- I have not found it yet.

1. Open your standard database.

2. Select a standard.

3. Click the Standard | Modify menu

4. Click the element you want to change the default crystal for.

5. Click the crystal combo and select the new crystal.

6.  Click OK, OK again and Yes.

7. Go to the Options | Interferences menu and perform your nominal interference calculations using the new crystal.

Great, this does indeed work. Not convenient, but it does work. Well, if one day you are looking for a nice thing to program, a little crystal button would still be appreciated.

Thanks
Ph

[Philipp Poeml]

Ok, I see the source of your confusion.  First of all it appears you are using an edited file of x-ray line energies, which confused me a bit... 

But more importantly, when it says "For Cs Lb     LiF at  2.66747 angstroms (66248) ..."

The phrase "Cs Lb" doesn't mean the on-peak position of the Cs Lb, it means the off-peak position of Cs Lb.  In the screen shot below, because I clicked the "Low Off-Peak Interferences" button, it lists the interferences in the vicinity of the Cs Lb low off-peak position.  Which is exactly what one would like to see, correct?  If I had clicked the "Hi Off-Peak Interferences" button it would display the interferences around the Cs Lb high off peak position.



Does that make more sense?

I can fix the output so it states that more clearly.   Remember, in the Standard Assignments dialog is where you can see the on-peak interferences...

Hi John,

yes, this does make more sense. I think a slight rewording of the text might be helpful, because I got confused by the peak position, which was in fact one of the background positions... Maybe this can be made more clear.

Cheers
Philipp