BioXTAS RAW 2 : new developments for a free open-source program for small-angle scattering data reduction and analysis

BioXTAS RAW is a free open-source program for reduction, analysis and modelling of biological small-angle scattering data. Here, the new developments in RAW version 2 are described. These include improved data reduction using pyFAI ; updated automated Guinier fitting and D max finding algorithms; automated series ( e.g. size-exclusion chromatography coupled small-angle X-ray scattering or SEC-SAXS) buffer- and sample-region finding algorithms; linear and integral baseline correction for series; deconvolution of series data using regularized alternating least squares ( REGALS ); creation of electron-density reconstructions using electron density via solution scattering ( DENSS ); a comparison window showing…

• UD
  U.S. Department of Energy

  Awards: AC02-06CH11357, DE-AC02, 06CH11357, DE-AC02-06CH11357, P30 GM138395, DE-AC02-
• NI
  National Institutes of Health

  Awards: P30 GM138395, DE-AC02-06CH11357
• OO
  Office of Science

  Awards: DE-AC02-06CH11357, DE-AC02, 06CH11357, AC02-06CH11357
• NI
  National Institute of General Medical Sciences

  Awards: GM138395, DE-AC02-06CH11357, P30 GM138395
• AN
  Argonne National Laboratory

  Awards: DE-AC02, 06CH11357, AC02-06CH11357, P30 GM138395