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choderalab / host-guest

Host-guest system data and simulations
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Debugging latest experiments #14

Closed bas-rustenburg closed 9 years ago

bas-rustenburg commented 9 years ago

0.516635282602 millimole / liter is the concentration of the host stock solution according to my script.

I'm going to check whether that is a calculation error, or a notation error on my part. I was expecting to make a ~ 1 mM stock..

bas-rustenburg commented 9 years ago

It was a calculation error when I prepared the solutions. I will remake the stock solution before next experiment.

This explains why every experiment had the same syringe concentration. To get the best Rm, things were just maxed out. Will still check for any further bugs.

bas-rustenburg commented 9 years ago

Oh, FWIW, the guest stock solutions were all approximately 1 mM, as desired.

jchodera commented 9 years ago

Aha! Thanks for tracking this down---that explains a lot!

bas-rustenburg commented 9 years ago

Found my error in the original calculation. Instead of dividing by the purity, I multiplied by it..

(host.molecular_weight * host.purity * Quantity('1 millimole / liter') * Quantity('10 milliliter')).to('milligram')

Which gives about 8 mg instead of the required 16mg.

bas-rustenburg commented 9 years ago

New solution was made. Problem solved.