In NMRgenerator
function caltemp(dh2o, pH, saltmM) --Calculate temperature of the sample based on chem. shift of H2O
-- http://www2.warwick.ac.uk/fac/sci/chemistry/research/lewandowski/lewandowskigroup/goodies/
--set Default
local dh2o =4.7
local pH=5.5
local saltmM=50
local Tsamp=470.7-93.8*(dh2o-0.002*(pH-7.4)-0.009*(saltmM/100))
if (Tsamp > 52) then Tsamp=568.8-115.8*(dh2o-0.002*(pH-7.4)-0.009*(saltmM/100)) end
return Tsamp
end --function caltemp(pH, salt)
--print(string.format( "Temp=%7.4f", caltemp(4.7, 5.5, 50))) --Temp=29.9057
References:
1. Hoogen, Y. T. van den, et al. (1988) Eur. J. Biochem., 171, 155-62.