Re: Chemstation CSV File

[lemoene]

Hi All

Looking at integrating Chemstation as singular formats  for Sample ID upload and Results return for a host of analyzers. Does anybody here have experience with it?

Questions from (very slow over Xmas:) comms with the lab, for a typical Cannabis results file:

I would only include the Peak AREA, Retention time and the PPM value, the most critical to reporting for LIMS is the PPM value- which is calculated currently by Agilent Chemstation Macro.

The Area and Retention time can be uploaded as 'Interim fields'

• Which column holds the PPM value? (The PDF uses %)
  
  
• I assume each row/peak is for a different Analyte say CBD, CBC, THC etc. Some are repeated, how does one deal with that?
  

Peak#	RetTime	Type	Area	Height	Width	Start	End
1	1.953026176	BB	3.308916092	0.9255641103	0.0557086393	1.846666694	1.993783593
2	2.31812644	BB	12.17282391	4.228140831	0.0455883518	2.173333406	2.3709023
3	2.463482142	BV	7.156328678	2.720340729	0.0426911935	2.406666756	2.500091314
4	2.561598063	VB	245.0743408	89.08628845	0.0440947339	2.500091314	2.634428024
5	2.971498013	BV	8.031862259	1.804667711	0.0639237165	2.826666594	3.001300097
6	3.13612175	VB	10.25929546	2.007358551	0.0716265067	3.001300097	3.179696322
7	3.372587204	BB	1.502796769	0.5471019745	0.044046361	3.319999933	3.395790577
8	3.509057522	BV	12.34031391	3.416278124	0.0561424494	3.406666756	3.558508396
9	3.821792364	VB	16.11049843	4.223931313	0.0564978421	3.558508396	3.875243425
10	4.413383961	BBA	39.1039772	1.992725015	0.2489392906	3.913333416	4.5

• Is Chemstation file formats configurable?
  
  
• Does anybody have a Sample ID upload format to share?
  

Appreciated. Bests wishes for 2019!
l

[lemoene]

Awesome, thanks Didinson!

Dear Lemoene;

In reply for your questions:

The Chemstation is very powerfull for reports samples and is possible to do for a conventional report (a text report, attached) and a intelligent report. The conventional report permit export results in diferent templates previwe configurates for chemstation, and export to txt file or csv dile or pdf file. With a intelligent report the user can configurate the report to them nedds and as they wish, is very powerfull. For specific questions:

    1. Which column holds the PPM value? (The PDF uses %). In the figure, anyone.

The Chemstation calcs concentration for a analyte with a calibration curve in a diferent models regresion for example, linear regression. In the figure, and a atacched report the concentration is not calculed, only a semicuantitative analysis is possible with an area column token a percentaje of area how percentaje of composition. But is posible do a calibration curve for a concentration report.

    2. I assume each row/peak is for a different Analyte say CBD, CBC, THC etc. Some are repeated, how does one deal with that?

Yes, each peak is for a diferent analyte, but generally but usually none is repeated, since the retention time is used for the identification of the analyte when compared with a standard. In some occasions complex analytes such as PCBs produce several signals for the same compound, in these cases it is necessary to choose only one peak for the quantification with calibration curve. The Type column in the report you send, are a convention for integration process that chemstation assign according to the type of integration made.

    3. Is Chemstation file formats configurable?

Yes, file formats are configurable in a intelligent report instance ChemStation. For the use of intelligent reports you must have experience in the configuration of the same but it is very easy to learn and is possible export in a TXT, CSV or PDF file. In the other hand, conventional reports are not configurable but there are many templates for choise with diferent types and columns data.

   4. Does anybody have a Sample ID upload format to share?

Attach some reports, a txt simple report and a intelligent reports in pdf (is possible export in a csv or txt file). These reports have been generated with Chemstation Open Lab B and Chemstation Open Lab C, but in all versions it is possible to make this type of reports.

I hope this information is useful and I remain alert for other questions if necessary

Best Regards...!!!

El lun., 7 ene. 2019 a las 9:27, Didinson Muñoz (<dmuno...@gmail.com>) escribió:

Dear Lemoene;

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