01-14-2008, 03:22 AM
Thanks guys.
This is mass spec data, and my key is actually the query number and the mass, so it will be unique.
But yes, I realize that maybe I need a better data structure.
I need to take all the data and compare each element's molecular mass and scan number against all the other elements - picking out the ones that meet certain criteria (in this case, mass number within a certain tolerance and scan number within a certain window). I thought it would be fast to take all the elements with the MW within a certain tolerance and then quickly find the ones with the scan number within the window.
I'll have to rethink my data structure.
This is mass spec data, and my key is actually the query number and the mass, so it will be unique.
But yes, I realize that maybe I need a better data structure.
I need to take all the data and compare each element's molecular mass and scan number against all the other elements - picking out the ones that meet certain criteria (in this case, mass number within a certain tolerance and scan number within a certain window). I thought it would be fast to take all the elements with the MW within a certain tolerance and then quickly find the ones with the scan number within the window.
I'll have to rethink my data structure.