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Re: TPSA [message #1028 is a reply to message #1025] Tue, 04 August 2020 11:24 Go to previous messageGo to previous message
thomas is currently offline  thomas
Messages: 722
Registered: June 2014
Senior Member
One reason may be that DataWarrior considers the largest fragment only by removing counter ions, water molecules and other small fragments from the main ingredient before the calculation.
 
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