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 ,

As far as I've been able to find out, only the data is translated. Even if information from the inject list were available, the Multiplier in MassHunter is calculated from the Dilution, Sample Amount, and Total Sample Amount and cannot be entered directly. Details on how that works can be found in this discussion.

(+) Masshunter quantification in post processing - Forum - Mass Spectrometry Software - Agilent Community

If you have the information available in an Excel spreadsheet you can copy and paste columns into the quant batch table. I believe that would be the easiest way to bring the information over.

Hello howard_sanford 

I have seen the multiplier in the compound  method table,and know what it works with Sample amount,total amount anr dilutions.But what I want to know is is  there a multiplier come from the sample table.Multiplier in the openlab cds chemstation is from the sequence table for each injection and  I can manually edit.

I see you say I can copy and paste the data from Excel,I tested it and it is ok .but I may not know which row corresponding which sample .Is this give me hint that  I can write masshunter sdk  script to import the information I need?

Thanks   

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