PPubMed20 Oct 2021Cited 25×

Multiple scattering and resolution effects in small-angle neutron scattering experiments calculated and corrected by the software package <i> MuScatt </i> Multiple scattering and resolution effect correction

Sebastian Jaksch, Vitaliy Pipich, Henrich Frielinghaus

Abstract

Calculations and desmearing of different multiple scattering effects for the small-angle scattering technique using the software package MuScatt are presented.

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Calculations and desmearing of different multiple scattering effects for the small-angle scattering technique using the software package MuScatt are presented.

What’s new

i.We provide the corrections to the elastic scattering signal, for which we developed the program MuScatt (Frielinghaus, 2021[16]; Wuttke, 2021[52]).
ii.We present a few examples to demonstrate data correction with the MuScatt desmearing program.
iii.We summarize the equations of multiple scattering on the basis of population equations.
iv.We propose the desmearing method 1 as the best choice for removing multiple scattering effects because it is most reliable and does not introduce a fudge factor.
v.The current MuScatt routine is implemented in the current version of the SANS software QtiSAS (Pipich, 2021[40]).

How they did it

Here, we use a 2D-FFT for isotropic data to take into account both multiple scattering and resolution desmearing. The program MuScatt works with isotropic ASCII data in three‑column format in the following order: the scattering vector magnitude Q (Å−1), the calibrated intensity (cm−1) and the statistical error of the intensity (cm−1).

What they found

The transmissions of the sample were T = 0.554, 0.307, 0.179 and 0.031 for the four experimental configurations.
We had to introduce a ‘fudge factor’ α = 0.057 cm for methods 2 and 3, which could not be reproduced exactly for other samples.
*w* = 2.0 was appropriate in most cases.
The calibrated apparent small-angle scattering macroscopic differential cross sections of water (1 mm thickness) and plexiglass (1.5 mm), measured and simulated.
Method 1 correction shifted intensities to lower values while preserving the Guinier region for the RO98 pHt membrane (T = 0.113).

Caveats

✕The full correction for extremely high (∼19 Å) neutron wavelengths in combination with strong incoherent scatterers like H2O was not implemented in this work.
✕The ‘fudge factor’ α = 0.057 cm required for methods 2 and 3 could not be reproduced for other samples.
✕The description assumes no impediment to the flight of incoherently scattered neutrons exiting the sample at large angles.

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