EZChrom 3.1.7 advanced reporting question

[JAROCZAJKA]

Hello,

I'm user of EZChrom 3.1.7 software with VWR Lachrom Elite system.
I have many sequences for dissolution testing, stability and purity. My sequences consists of 40 - 50 samples in 2 , 3 repetitions. I would like to have summary report on 1 - 2 pages with mean value and %rsd. The problem is that I dont have parameter like number of repetition of the sample injection.
Could anybody help me?

JaroCzajka

[unmgvar]

hello JAROCZAJKA,

althou my message is pretty negative you might still have hope. see the end
my experience of advanced reporting is not a positive one.
in order to perform those tasks to your satisfaction you need to do alot of "scripting"
the advanced report does not work trully like excel so many type of functions that you would easily do in excell are a pain stacking task in the ezchrom elite advanced report.

the advanced report is good only for summarising what the software can show you. it is very hard to extrapolate from it.
you can easily do simple assay reports, simple dissolutions, and uniformity.
doing a correct impurity calculation is close to impossible in an automatic fashion.
dissolution profiles are impossible to do as well, mind you almost all CDS can't do that one properly anyway.

still you should bypass the VWR guys or rep. get in touch with the agilent people. they have the SSI guys working for them now and they must have templates of some of the stuff you are in need and even manuals.
i can also give one "manual" on how to do some stuff. get in touch with me at my mail.

[jwmol]

Hi Jaroczajka,

unmgvar is right in saying that once you go beyond the standard "tables" that are created with the table wizard, the learning curve gets quite steep. On the installation CD there is a 100+ page pdf manual describing all the expression details.

Still what you are describing is possible. One way of dealing with this is to selectively ignoring the standard injections. Also consider to have multiple summary report ranges (one for each bracket). It will create a few more pages, but make the template a lot simpler. Another approach could be, when your brackets always have the same size, to create multiple tables inside of one advanced report template.

What is best all depends on the structure of your sequences and how much they vary.

Also remember there is a new capability in 3.1.7 if you would want to include additional values in your calculations. Per entry in the sequence you can add additional parameters. What parameters can be specifed in the sequence is determined per method under 'Custom Parameters'.

JW

[JAROCZAJKA]

Hello jwmol.

Thanks for your replay.
According to your sentence about custom parameters in the sequence, ofcourse I can use the valu of this parameter in the advanced reports, But can I use it for calculatiob in any way in Method custom report?
For example if I define PURITY customparameter for each peak, I would like to have recalcluted concetration in the methode custom report. Is it possible?
According to my first question I do some scripting and recive I think quit good results.
For now I can have only one bracket through the whole sequence and summarize each sample independently of number of repetition.

Hi Jaroczajka,

unmgvar is right in saying that once you go beyond the standard "tables" that are created with the table wizard, the learning curve gets quite steep. On the installation CD there is a 100+ page pdf manual describing all the expression details.

Still what you are describing is possible. One way of dealing with this is to selectively ignoring the standard injections. Also consider to have multiple summary report ranges (one for each bracket). It will create a few more pages, but make the template a lot simpler. Another approach could be, when your brackets always have the same size, to create multiple tables inside of one advanced report template.

What is best all depends on the structure of your sequences and how much they vary.

Also remember there is a new capability in 3.1.7 if you would want to include additional values in your calculations. Per entry in the sequence you can add additional parameters. What parameters can be specifed in the sequence is determined per method under 'Custom Parameters'.

JW

[jwmol]

Hi Jaroczajka,

can I use it for calculatiob in any way in Method custom report?

Since these values are part of the sequence I do not think this is possible.

The most feasible way of doing this would be to put the PURITY in the sample description use this value in a scripting method custom parameter that is available in the method report.

Most pharma reporting and calculations are sequence related, therefore these new custom paramteres revolve around the sequence.

JW

[jwmol]

Hi,

I investigated some more in 3.1.7.

1. In contrast to what I said earlier: you can report the purity as a sequence custom parameter in your mehtod report.
2. However, you cannot, refer to that parameter from a scripting parameter. This is a lack in the scripting parameter functions.

Possible workaround:

Put the Purity value in a multiplier or dillution factor of the sequence. Of course the ESTD concentration will now be calculated differently as the purity corrected ESTD. Now you can add a scripting custom parameter to the method that will calculate back the original ESTD value by using both the corrected ESTD and purity that is in one of the factor fields.

JW

[jwmol]

Hi,

A query into Agilent discovered that there is an undocumented feature in the scripting custom parameters that will be released in 3.2 (sometime later this year). It already works in 3.1.7 though!



JW

[JAROCZAJKA]

Hi jwmol,

Thats very interesting what you're writing. Can you give some more detailed info accordind hidden features of EZChrom?
I use this software whith HITACHI modules.

I wonder if it would be worth to create a separate web site for EZChrom forum ? I have registered domain ezchromforum.com - what do you think about such idea?

Hi,

A query into Agilent discovered that there is an undocumented feature in the scripting custom parameters that will be released in 3.2 (sometime later this year). It already works in 3.1.7 though!



JW

[JAROCZAJKA]

HI JVMOL.

I found the way you have done it!.
I definded two custom parameters PURITY - based on sequence where I input the purity of each compound.
Than Corrected ESTD custom parameter calculated from script file.
In the script file I got PURITY and multiply by ESTDConcentration. Am I right?
The difference is in presition of the value of the concentration.
The estdconcentration taken from standard parameters list gives result 0.6524 and from script file the estd is 0.6500.

Regards,

Jaroczajka

[jwmol]

Hi,

What you are describing is correct. Question is how did you get the value from the Purity custom par into the corrected ESTD calculation script?

Proper way to do this is:
Peak.GetCustomParamResultByName "Purity", dPurity

But as said: not documented=not supported.

I do not understand why your ESTD value is truncated to 2 decimals.

JW

[JAROCZAJKA]

Hi,

Yes I did in this way:
Function Get_PeaksESTD()

Dim Area
Dim ESTD
Dim nTrace
Dim nPeak
Dim Peaks
Dim Peak
Dim PURITY

nTrace=2

Set Peaks=CDS.Peaks(nTrace,cNamedDetPeaks)



If(VarType(Peaks)<>vbEmpty) Then

For nPeak=1 To Peaks.Count
Peak= vbEmpty
set Peak = Peaks.PeakIndex(nPeak)

if (VarType(Peak) <>vbEmpty) Then
Peak.GetResult cPeakESTDConcentration, ESTD
Peak.GetCustomParamResultByName "PURITY", PURITY
Peak.SetCustomResult ESTD*PURITY

End If

Next

End if
End Function

But in my documents from instalation CD the Peak.GetCustomParamResultByName "PURITY", PURITY is documented and Peak.GetResult cPeakESTDConcentration, ESTD is not documented.