Search Result

Collapse
2 results in 0.0015 seconds.
Keywords
Members
Tags
chemistry
  •  
  • Chris Clark
    started a topic Accurate Mass to Molecular Weight Algorithm
    in Algorithms

    Accurate Mass to Molecular Weight Algorithm

    I am trying to reduce my data entry workload through automation of an accurate mass calculator. I have a table of accurate "mass to charge" output vs. intensity from an agilent mass spectrometer. Currently I have to key input each of these molecular weights into the "Agilent MassHunter" mass calculator and get the multiple molecular formula matches and export these matches to excel (with their deviation). Ultimately I parse...
    See more | Go to post
    • iqgrisskinka
      started a topic String, variable ?
      in Python

      String, variable ?

      Hello

      I'm trying to make a chemistry-program that's going to calculate the mass of an group of atoms.

      It is however hard to make it work. First I give C a value of 12 and O a value of 6. To this point everything is fine, but now I want to be able to write CO2 and have the program understand that it's supposed to take the value of C and add it to the value of O times two.

      Do you have any idea on how I...
      See more | Go to post
      Previous template Next
      Working...