Search found 5 matches

by shoma
2019.08.19 13:26
Forum: Primary Data Processing
Topic: SAXS from P(r)
Replies: 3
Views: 6969

Re: SAXS from P(r)

Hi AL, thank you for the quick and kind answer.

pddffit asks for two arguments, P(r) and experimental curve?
can I do something if I have only P(r) function, but not any curve. And I want to predict SAXS curve only from P(r).
by shoma
2019.08.16 13:55
Forum: Primary Data Processing
Topic: SAXS from P(r)
Replies: 3
Views: 6969

SAXS from P(r)

Hi all,

just a quick question - is there a tool in ATSAS package that allows calculating the SAXS curve from a given P(r) function, opposite direction that gnom does?

Thank you in advance!
by shoma
2018.12.03 18:51
Forum: Primary Data Processing
Topic: Different Rg
Replies: 1
Views: 3513

Different Rg

Hi all, Sorry for the stupid question - I am confused by the different Rg in output files, not sure which Rg represents what. Quick reading of the documentation did not help. What I want is: 1) Radius of gyration from the atomic structure WITHOUT hydration water (Rg in vacuum) - is this "Electron Rg...
by shoma
2017.05.04 10:27
Forum: Primary Data Processing
Topic: Smoothing experimental SAXS/SANS curves
Replies: 2
Views: 20811

Smoothing experimental SAXS/SANS curves

Dear all,

does ATSAS package provide a tool to smooth the noisy experimental SAXS/SANS curve, (taking into account Shannon theorem and calculating running averages, or so)? Does it also provide calculation of realistic error bars?

Thank you in advance!