Data analysis for solution scattering experiments.
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.gitignore
LICENSE
README.md
SVD_Quarantine.py
average_temps.py
difference_dat_kinetics.py
eyring_fit_k1.py
eyring_fit_k2.py
parse.py
quickplots.py
reduce_data.py
rg_and_i0.py
saxs_plots.py
spc2.py
structure_packing_calc.py
structure_packing_correction.py
trace.py

README.md

Solution Scattering


Summary:

Code for analyzing solution scattering data, particularly focusing on time-resolved experiments.

Authors:

Ben Barad (bbarad)
Michael Thompson (miket928)
Alex Wolff (LifeHasOrder)

Contents

difference_dat_kinetics.py         #tools to calculate kinetics from changes between time-resolved dat files
parse.py                           #library for reading SAXS data
quickplots.py                      #visual dat files from reduce_data
saxs_plots.py                      #plotting library for SAXS data
reduce_data.py                     #reduce replicates
structure_packing_calc.py          #calculate a SPF(q)
structure_packing_correction.py    #divide I(q) by SPF(q)
trace.py                           #object and methods for handling I(q)

Usage

python3  reduce_data.py  -st dir_static_files  -b dir_static_buffer_files    #example of how to reduce data


python3  structure_packing_calc.py  dir_static_dat_files    #calculate SPF, write as dat


python3  structure_packing_correction.py  dir_uncorrected  SPF_dat_file    #divide I(q) by SPF(q)