NIST Standard Reference Material 3600: Absolute Intensity Calibration Standard for Small-Angle X-ray Scattering

Allen, Andrew J.; Zhang, Fan; Kline, R. Joseph; Guthrie, William F.; Ilavský, Ján

doi:10.1107/s1600576717001972

Cited by 64 publications

(49 citation statements)

References 27 publications

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“…(b) The final window of EFA in RAW, showing the selected data ranges, the extracted scattering profiles from the overlapping peaks and other information. ambiguity of the reconstruction and resolution of the reconstruction; similarity testing of profiles using the CorMap test (Franke et al, 2015), available as a tool for the user and carried out automatically when averaging profiles; absolute scaling using glassy carbon (Zhang et al, 2010;Allen et al, 2017); and normalized and dimensionless Kratky plotting (Durand et al, 2010;Rambo & Tainer, 2011;Receveur-Bré chot & Durand, 2012).…”

Section: Note Added In Proofmentioning

confidence: 99%

BioXTAS RAW: improvements to a free open-source program for small-angle X-ray scattering data reduction and analysis

Hopkins

Gillilan

Skou³

2017

J Appl Crystallogr

542

454

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BioXTAS RAW is a graphical-user-interface-based free open-source Python program for reduction and analysis of small-angle X-ray solution scattering (SAXS) data. The software is designed for biological SAXS data and enables creation and plotting of one-dimensional scattering profiles from twodimensional detector images, standard data operations such as averaging and subtraction and analysis of radius of gyration and molecular weight, and advanced analysis such as calculation of inverse Fourier transforms and envelopes. It also allows easy processing of inline size-exclusion chromatography coupled SAXS data and data deconvolution using the evolving factor analysis method. It provides an alternative to closed-source programs such as Primus and ScÅ tter for primary data analysis. Because it can calibrate, mask and integrate images it also provides an alternative to synchrotron beamline pipelines that scientists can install on their own computers and use both at home and at the beamline.

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Section: Note Added In Proofmentioning

confidence: 99%

BioXTAS RAW: improvements to a free open-source program for small-angle X-ray scattering data reduction and analysis

Hopkins

Gillilan

Skou³

2017

J Appl Crystallogr

542

454

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“…Pure H 2 O is a readily accessible, universal standard whose scattering has been well characterized over a wide range of temperatures. Secondary standards are also available, such as glassy carbon (see the new NIST Standard Reference Material 3600; https:// www-s.nist.gov/srmors/view_detail.cfm?srm=3600; Allen et al, 2017). Absolute scaling enables the direct comparison of SAS data from different instruments, including X-ray and neutron sources, without arbitrary scaling and also enables the determination of M or V from I(0) without reference to the scattering from a reference protein.…”

Section: Data Acquisition and Reductionmentioning

confidence: 99%

2017 publication guidelines for structural modelling of small-angle scattering data from biomolecules in solution: an update

Trewhella

Duff

Durand

et al. 2017

Acta Crystallogr D Struct Biol

235

197

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In 2012, preliminary guidelines were published addressing sample quality, data acquisition and reduction, presentation of scattering data and validation, and modelling for biomolecular small-angle scattering (SAS) experiments. Biomolecular SAS has since continued to grow and authors have increasingly adopted the preliminary guidelines. In parallel, integrative/hybrid determination of biomolecular structures is a rapidly growing field that is expanding the scope of structural biology. For SAS to contribute maximally to this field, it is essential to ensure open access to the information required for evaluation of the quality of SAS samples and data, as well as the validity of SAS-based structural models. To this end, the preliminary guidelines for data presentation in a publication are reviewed and updated, and the deposition of data and associated models in a public archive is recommended. These guidelines and recommendations have been prepared in consultation with the members of the International Union of Crystallography (IUCr) Small-Angle Scattering and Journals Commissions, the Worldwide Protein Data Bank (wwPDB) Small-Angle Scattering Validation Task Force and additional experts in the field.

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“…Glassy carbon, featuring a long plateau on its scattering curve, is a very popular secondary standard (Zhang et al, 2010;Wacha et al, 2014;Allen et al, 2017). When the intensity of glassy carbon calibrated with H 2 O is multiplied by the abovedetermined g factor, the final calibrated scattering curve almost overlaps with the data measured by the NG-7 instrument at NIST (Fig.…”

Section: Tablementioning

confidence: 82%

Calibration of the Suanni small-angle neutron scattering instrument at the China Mianyang Research Reactor

et al. 2018

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A series of calibration measurements have been performed on Suanni – the first small‐angle neutron scattering spectrometer entering into routine user operation in China – aiming to characterize instrument performance and to provide a reference for user experiments. Various calibration standards were used to verify the precise association of the scattering intensity I with the scattering vector magnitude q at short and medium sample–detector distances. The measurements recorded for silver behenate powder revealed a slight shift of the neutron wavelength (λ) at the sample position as compared to the nominal λ calculated by the selector constant. The deviation was more significant with λ > 0.8 nm owing to the shape of the incoming neutron spectrum incident on the selector. The measured dead time for the entire detection system is 2.7 µs, as determined by measurements with varying fluxes. A protonated/deuterated polystyrene blend was employed as the primary standard to calibrate the secondary standard H2O. The instrument covers an effective q range between 0.013 and 5 nm−1, as demonstrated by scattering curves obtained from a monodisperse poly(methyl methacrylate) nanoparticle suspension and a glassy carbon plate.

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NIST Standard Reference Material 3600: Absolute Intensity Calibration Standard for Small-Angle X-ray Scattering

Cited by 64 publications

References 27 publications

BioXTAS RAW: improvements to a free open-source program for small-angle X-ray scattering data reduction and analysis

BioXTAS RAW: improvements to a free open-source program for small-angle X-ray scattering data reduction and analysis

2017 publication guidelines for structural modelling of small-angle scattering data from biomolecules in solution: an update

Calibration of the Suanni small-angle neutron scattering instrument at the China Mianyang Research Reactor

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