Re: [Ifeffit] Purple & Red E Derivatives

2011-02-25 Thread Matt Newville
Hi Matthew, On Tue, Feb 22, 2011 at 9:42 PM, Matthew Marcus wrote: > Should the line > out[i] = (x[i+1] - x[i])/2.0 > be > out[i] = (x[i+1] - x[i-1])/2.0  ? > > That would account for the 2.0.  That is, in fact, exactly what I proposed > was meant by 'numerical differential'. Yes, so

Re: [Ifeffit] Purple & Red E Derivatives

2011-02-22 Thread Matthew Marcus
- Original Message - From: "Matt Newville" To: "XAFS Analysis using Ifeffit" Sent: Tuesday, February 22, 2011 5:28 PM Subject: Re: [Ifeffit] Purple & Red E Derivatives Hi Bruce, Matthew, Oh, deriv() (and smooth()) are not nearly as sophisticated as what Matthe

Re: [Ifeffit] Purple & Red E Derivatives

2011-02-22 Thread Matt Newville
Hi Bruce, Matthew, Oh, deriv() (and smooth()) are not nearly as sophisticated as what Matthew suggests. They are simply applied to a single array, sequentially, without regard to "the x axis" (as, in fact, it does not know what x might be): Deriv would translate (sorry for the python) to def de

Re: [Ifeffit] Purple & Red E Derivatives

2011-02-22 Thread Bruce Ravel
On Tuesday, February 22, 2011 06:19:16 pm Matthew Marcus wrote: > > The numerical derivative > > is computed as the numerical differential of the mu(E) spectrum > > divided by the numerical differential of the energy array. Smoothing > > happens as explained above. Justw atch the lines that get p

Re: [Ifeffit] Purple & Red E Derivatives

2011-02-22 Thread Matthew Marcus
The numerical derivative is computed as the numerical differential of the mu(E) spectrum divided by the numerical differential of the energy array. Smoothing happens as explained above. Justw atch the lines that get printed to the buffer when you click the plot buttons. - B. Ravel I wonder if

Re: [Ifeffit] Purple & Red E Derivatives

2011-02-22 Thread Bruce Ravel
On Tuesday, February 22, 2011 05:03:02 pm Andrew Korinda wrote: > While working in Athena today I noticed something peculiar while > looking at the derivative plots of mu(E) data. When I plot the current > group (red button) the plot can be spiky. However, when I plot as > marked group (purple butt

[Ifeffit] Purple & Red E Derivatives

2011-02-22 Thread Andrew Korinda
While working in Athena today I noticed something peculiar while looking at the derivative plots of mu(E) data. When I plot the current group (red button) the plot can be spiky. However, when I plot as marked group (purple button) everything is much smoother and more rounded. Smoothed data will do