plot,gnuplot,spectrum,infrared,chemistry

andyras' answer is a nice one, this is an arguably simpler (more elegant :-P) solution in terms of layout options. This should also be a more universal solution. If there are not too many tics (read below the figure if there are too many), then this could be done scaling...

Look here: http://www.nobeliefs.com/atom.htm This should explain your question.

Ok, I finally found a solution to my problem, even if it's not related to my first question. I followed my first approach to generate my polymer: a python script generating a long SMILE chain. And then, I finally found a software capable of converting such a long chain: Discovery...

python,optimization,numpy,scipy,chemistry

This is my approach. Assuming x1-x4 are approximately normally distributed around each mean (1-sigma uncertainty), the problem is turning into one of minimizing the sum of square of errors, with 3 linear constrain functions. Therefore, we can attack it using scipy.optimize.fmin_slsqp() In [19]: def eq_f1(x): return (x*np.array([0.5, 1.0, 1.5, 2.0])).sum()-8...

jquery,flot,equation,chemistry

Those red lines are isopleths. In order to plot them you vary the independent variable against the equation with enough granularity to produce points to approximate the curve. According to wikipedia, your Hendersonâ€“Hasselbalch equation for blood is: pH = 6.1 + log(HCO3MM/(0.03*PCO2)) Where pH is x and HCO3MM is your...