How to obtain multplier in masshunter quant batch table from the data of openlab cds fid using gc translator

Prinkyb,

 Typically the multiplier the multiplier does not get translated with the raw signal. You will need to specify it in MassHunter Quant. 

Hi ron_tackett
Is this mean when the amount of samples is large we need to manually add this data in masshunter quant?Is there any other column I can obtain by masshunter using the data of openlab cds,so I can use it  calculate the FinalConc or userDefined result? 

Hello prinklyb ,

In MassHunter you can bring Dilution, Sample Amount, and Total Sample Amount from a worklist or GCMS sequence into quant. You cannot directly bring in a multiplier value. The Mulitplier in quant is a calculated value and cannot be directly entered. 

It may be possible to write a script in quant using the SDK to update the Dilution, Sample Amount, and Total Sample Amount. You would have access to the sample name and data file name, so you could check against that to make certain you are applying the correct values from your external source. 

Hello howard_sanford 

I have  wrote the script by referencing UI Customization Developers Guide. I want to know if the information of sample.xml file in the *.D Datafile  is correct and then its ok for me.I just grab the information from it.the script.I wrote below using datafile as main key.I can use it as a custom UI now and need to click the button for each batch when I need to import information.But I want to know if it can execute after I run add sample or Analyze batch tools.this means that can the script execute automatically?

Thanks!

import clr
import sys
import System
import System.Text
import System.IO
import System.Windows

clr.AddReference("AppCommandContext")
clr.AddReference("QuantUIScriptIF")
clr.AddReference("System.Windows.Forms")
clr.AddReference("System")
clr.AddReference("System.Xml")

import System
import Agilent
import _commands
import BatchDataSet

from Agilent.MassSpectrometry.DataAnalysis.Quantitative.UIScriptIF import *
from System import *
from System.Xml import *
def SetStateCalc(ToolState,UIState):
    if UIState.HasBatch:
        ToolState.Enabled=True
    else: 
        ToolState.Enabled=False

def ExecuteCalc(ToolState,UIState):
    try:
        batchId=0
        batchTable=BatchDataSet.BatchTable

        sampleRows=batchTable.Select("BatchID=%s" %(str(batchId)))
        print(UIState.BatchDirectory)
        BD=UIState.BatchDirectory

        for s in range(0,len(sampleRows)):
            sampleRow=sampleRows[s]
            sId=sampleRow["sampleID"]
            sDataFile=sampleRow["DataFileName"]
            Multiplier=GetSampleInfoByXml(BD+sDataFile,"Multiplier")
            _commands.QuantSetSampleAttribute(batchId,sId,"SampleAmount",1)
            None if String.IsNullOrEmpty(Multiplier) else _commands.QuantSetSampleAttribute(batchId,sId,"TotalSampleAmount",Multiplier)
        UIState.ShowMessage("ok","Masshunter quant",System.Windows.Forms.MessageBoxButtons.OK,System.Windows.Forms.MessageBoxIcon.Information)
    except Exception as ex:
        UIState.ShowExceptionMessage(ex.clsException)

def GetSampleInfoByXml(datafile,Column):
    filepath=datafile+"\\sample.xml"
    xml=XmlDocument()
    xml.Load(filepath)
    elem=xml.GetElementsByTagName(Column)
    return elem[0].InnerXml

Hello prinklyb ,

The sample_info.xml file will have some basic information about the sample that is translated from OL2, but it does not contain multiplier, dilution, or sample amount information from the Injection List.

I'm not certain that it is possible to run a script based off of some other event in quant, but it may be possible to have a script trigger the add sample dialog and then perform a specific action after the dialog is closed. 

Hello howard_sanford 

I can see the multiplier column in the xml file from *.d date file generated by OpenLab CDS ChemStation Edition C.01.07.The source of multiplier comes from the external lims which equal Volume/Weight of the sample.and now I use the script to set totsampleamt to the multiplier in the file,sample to 1,so that I can let the multiplier in masshunter equal to the multiplier in the xml now.

Is it convenient for you to tell me how to have a script trigger the add sample dialog and perform the specific action after the dialog is closed?

Thanks

Hello prinklyb ,

It appears there is not a call to open that dialog. The closest I could find is the QuantImportSamplesFromWorklist command. As long as there are not too many extraneous data files in a given folder then you should be able to run that command followed by your multiplier import routine. 

Hello howard_sanford 

I have tested the QuantImportSamplesFromWorklist command and found that I need to add other codes such as search the sample file in the folderpath,and show the dialog  let user select sample need to analysis to let it works same as the add sample dialog,this is not what I need.So I decide to just add a button and it works now.

Thanks for your help!

Hello howard_sanford 

I have tested the QuantImportSamplesFromWorklist command and found that I need to add other codes such as search the sample file in the folderpath,and show the dialog  let user select sample need to analysis to let it works same as the add sample dialog,this is not what I need.So I decide to just add a button and it works now.

Thanks for your help!