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Mannington's SimpleStairs Stair Treads Offer Exact Match for AduraMax, AduraRigid, AduraFlex and Realta Wood-Look Floors

Mannington’s SimpleStairs stair treads offer a seamless look for luxury vinyl flooring installations with treads that exactly match Mannington's AduraMax, AduraRigid, AduraFlex and Realta wood-look floors. 




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Carbon dioxide chiller provides ample cold for dairy and replaces propane heat for hot water

With this carbon dioxide chiller installed at a dairy, not only does it cool the milk better, it also provides heat for washing equipment.




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Mohawk Adds Stair Tread Program to Performance Accessories Products

In 2022, Mohawk's Performance Accessories further expands its portfolio by launching a stair tread program to help retailers reach previously untapped markets and emphasizing its waterproof accessories.




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A bit of Bhutan - Drukair domestic from Bumthang to Paro

Sorry for the false start. This is my first proper TR, so I needed some time to get my head around how to post the images properly as it's not as straight-forward as I thought. Image: *Background* This trip report is a tiny snapshot of an...




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DUB-US-MAD TP Run [Live] - Airports, Flights, Lounges and more

*Introduction* After enjoying reading many of the trip reports here, I thought I could try to write one myself. This is a "classic" BAEC TP Run on the Dubline - US - Spain routing, which will bring me back to Gold again. Do I need BA Gold/OWE? -...




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Hanian Airlines from Budapest to China (SZX/PVG) for less then €190 one way

Dates from november to beginning of december. Eg: https://www.google.com/travel/flights/search?tfs=CBwQAhojEgoyMDI0LTEyLTA2agcIARIDQlVEcgwIAhIIL20vMDZ3amZAAUgBcAGCAQsI____________AZgBArIBAhgB&tfu=IgA&authuser=0 Book via:...



  • Mileage Run Deals

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Air NZ Skycouch vs Singapore PE

Hello, I am in the process of booking flights to NZ for my family (2 adults and a 6 year old). I would like advice on the following dilemma with the Singapore - Auckland leg please. We have the option of flying Air NZ with a sky couch and...




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5 Lessons in Leadership: Dixie Group Chairman and CEO Dan Frierson

Navigating nearly six decades of industry upheaval with a steady hand and an eye for innovation, Dan Frierson's journey from yarn to luxury carpets embodies the transformative power of adaptable leadership in the ever-evolving world of floor coverings.






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Todd Glaser sells Palm Beach house to billionaire Herbert Wertheim for $38M

Most developers worry about finding buyers for their projects. Todd Glaser found Herbert Wertheim admiring his car in front of SurfSide Diner in Palm Beach.  The conversation started over Glaser’s 1957 Mercedes-Benz 300SL and turned into an off-market deal with the billionaire inventor and Trump friend. Records show Wertheim bought the waterfront house at 305 […]

The post Todd Glaser sells Palm Beach house to billionaire Herbert Wertheim for $38M appeared first on The Real Deal.




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So-called ‘deaths of despair’ are rising in the UK. Labour must act on this silent epidemic

Rates of suicide, alcohol and drug fatalities (collectively known as “deaths of despair”) have increased by 9%, 45% and 81% respectively in England and Wales over the last decade. Given that mortality rates for most other causes are stable or decreasing, this increase is deeply concerning. In total, in 2022 these three causes accounted for […]

The post So-called ‘deaths of despair’ are rising in the UK. Labour must act on this silent epidemic was curated by information for practice.




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F5: Kevin Frankental on a Paris Apartment, His Favorite Chair + More

Kevin Frankental, co-owner and creative director of Lemon, tells us about his favorite chair, a Paris apartment, a design store in New York, and more.




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Unitarian Universalist Church Holiday Bazaar and Art Fair

Unitarian Universalist Church
2120 N. Fee Lane
Bloomington, IN
Friday, December 6, 9am – Saturday, December 7, 2024, 3pm

Unitarian Universalist Church Holiday Bazaar and Art Fair
Friday December 6th 9 a.m. - 7 p.m. (Art Fair starts at 11 a.m.)
Saturday December 7th Bazaar and Art Fair 9 a.m. - 3 p.m.

Unitarian Universalist Church
2120 N. Fee Lane
Bloomington IN

Bazaar includes
Art Fair: A juried art show featuring professional arts and crafts from local artisans.
Cookie Cruise: Fill your box with your own selection of homemade cookies.
Gourmet Galaxy: Assortment of homemade breads, candies, jellies, pickles and other delicacies.
White Elephants: Used items from the precious to the useful to the intriguing.
Used Book Sale: For your enjoyment.
Uunique Cafe: Homemade soups, and sandwiches and desserts to sustain you as you shop.Fund Raising Booths: Homemade and imported items, proceeds of which support some of our charitable work.
Join us for the holiday spirit and opportunity to find the perfect holiday gift.

Contact: Ruellen Fessenbecker
Age Range: All Ages
Cost: Free
Communities: Bedford, Bloomington, Brown County, Columbus, Franklin, French Lick/West Baden, Greencastle, Greene County, Greensburg, Greenwood, Indianapolis, Kokomo, Martinsville, Seymour, Spencer, Statewide, Terre Haute
More infowww.uubloomington.org



  • 2024/12/06 (Fri)

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Winter Resource Fair

Boys and Girls Club
311 S Lincoln st.
Tuesday, December 3, 2024, 11am – 2pm

This event is for our neighbors that are unhoused, or at risk of becoming unhoused. There will be over 20 tablers that provide assistance in some way to the unhoused community. There will be big raffle items and supplies to stay warm outside this winter!

Presenter: Kaley Smith
Contact: 8126182715
Cost: free!
More infowww.facebook.com…



  • 2024/12/03 (Tue)

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Israel's EL Al Airlines Turns Profits by Continuing to Fly

Israel's airlines are generating a windfall as international carriers cancel or limit flights due to security concerns. Flying in or out of Israel has become a logistical challenge since the war in Gaza erupted.




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The Bookshelf: A Story About Two Pairs Of Sister Years Apart

In a small New Hampshire community two sisters, Henrietta and Jane, grow up under the shadow of a folk tale about the ruins of a house near their own. The house, more than a century earlier, was the home of a family of five who, legend has it, were transformed into coyotes.




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A pair of Trump officials have defended family separation and ramped-up deportations

President-elect Donald Trump named Stephen Miller his deputy chief of staff and Tom Homan as his “border czar,” appointing a battle-tested duo to design and direct immigration policy from the White House.




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Boeing cleaned up on Air Force parts, including soap dispensers marked up 8,000 percent

Boeing overcharged the Air Force nearly $1 million for spare parts on C-17 cargo planes, including an 8,000 percent markup for simple lavatory soap dispensers, according to the Pentagon’s inspector general.




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South Mountain Fair (8/20/2010)

Start Date: 8/20/2010
End Date: 8/20/2010
Agriculture related county fair. Lots of farm animals, carnival rides and games, arts & crafts, photography, floral, vegetable, baked goods, and needlework on display. Free country music entertainment, fireworks, horse pull and show and lots of good food.



  • 08/20/2010

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South Mountain Fair (8/19/2010)

Start Date: 8/19/2010
End Date: 8/19/2010
Agriculture related county fair. Lots of farm animals, carnival rides and games, arts & crafts, photography, floral, vegetable, baked goods, and needlework on display. Free country music entertainment, fireworks, horse pull and show and lots of good food.



  • 08/19/2010

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By Degrees: How Air Pollution and Climate Change Connect

By Degrees is a new reporting project by NHPR shedding new light on climate change in New Hampshire. That project launches this week. Air pollution is known to cause health problems like premature deaths, hospitalizations, heart attacks, and childhood asthma. It's also closely connected to climate change. Syracuse University Professor Charles Driscoll joined NHPR’s All Things Considered host Peter Biello to talk about what air quality in New Hampshire can tell us about the extent of the problem. So walk us through the basics, if you could. What are the main sources of air pollution in New Hampshire? There are different air pollutants that come from primarily fossil fuel combustion. So that could be through electric utilities, could be industrial processes, could be transportation. And there are a number of air pollutants, but the ones that are most prominent are very fine particulate matter released directly from these processes. But it also can be produced in the atmosphere from




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Ten Myths About Hair

Good hair implies good health Myth 1: Cutting hair makes it stronger. Moreover, hair will grow faster Nonsense. A head is not a lawn. No one knows why people think this; probably, this is due to men’s beards. However, there is a very big difference between hair on the face and on the head. Hair on the head grows 1.5 centimeters a month. Myth 2: Split ends can be cured Unfortunately, this is not true. One should cut the hair immediately to avoid any further damage. Myth 3: Combing hair is good for it Unfortunately, it is very bad for hair.  A comb often makes gives hair split ends and pulls them out of the skin. It is best not to comb hair too often.




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Chechen President Kadyrov pledges to send more airplanes with volunteers to Ukraine

Chechnya should send volunteers to the zone of the special military operation in Ukraine more frequently, Chechen President Ramzan Kadyrov said. Kadyrov made this announcement after a Ukrainian drone struck the building of the University of Special Forces in Gudermes. "I urge real men to volunteer to fight to defend our land, our state and our people. We need to show that you can't play around with Chechnya and its people," Ramzan Kadyrov said. Airplanes with volunteers should be sent to the front lines every day, not just once a week, as is happening now, he added.




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Elvira Nabiullina approved as Chairperson of Russian Bank

Elvira Nabiullina approved as Chairperson of Russian Bank The economist, Elvira Sakiphzadovna Nabiullina, has been approved by the Russian State Duma as Chairperson of the Russian Bank and will take office on the 24th of June 2013. She was born in Ufa, Bashkortostan, on the 29th of October 1963, of Tatar descent.  After graduating from the Lomonosov State University in Moscow, she gained a PhD in Economics, in 1990. Stations of her career were the Russian Union of Industrialists and Entrepreneurs, the Russian Ministry for Economic Development and Trade, and Sberbank. In 2008, Elvira Nabiullina was appointed as Minister for Economic Development and Trade. When Vladimir Putin was re-elected for his third term as President of the Russian Federation, in 2012, she joined his advisory committee as presidential aide.




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Russia marks Day of Airborne Forces by unveiling historical documents

Source: Mil.ru To mark the Day of Airborne Forces, which Russia is celebrating on August 2, the Russian Defence Ministry published unique documents on its official website about the establishment of Airborne Forces.The documents date back to the Great Patriotic War. One of them is titled the "Main Directorate of Airborne Troops of the Red Army." The document had been drafted literally a few days before the beginning of the war in 1941. Another document determines the combat composition of airborne units that started fighting against fascist invaders in September of 1941. The publication also includes the combat characteristics of the commander of the 49th Guards Rifle Division, Colonel Margelov, who subsequently became the legendary commander of the Airborne Forces.The main symbol of Russia's Airborne Forces - the blue beret - was approved in 1969 by Marshal of the Soviet Union Andrei Grechko.




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Russia to use Buk and Pantsir air defense systems to shoot down Israeli aircraft

Russia will use Buk and Pantsir air defense systems against Israeli Air Force aircraft. Analysts say that Russian officials have repeatedly declared that Israeli aviation poses a threat to the Russian military in Syria. According to British publication Rai Al Youm, Russia may use its complexes to cover the Syrian sky from Israeli air raids. Experts of the publication note that Israel, while striking Iranian groups in Syria, endangers the Russian military.




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UK to transfer 100 Brimstone air-to-ground missiles for Ukrainian F-16 fighter jets

London will additionally transfer about a hundred Brimstone missiles, artillery guns and ammunition, British Secretary of State for Defence John Healey said earlier. It was previously reported that the UK would transfer 100 missiles for F-16 aircraft to Ukraine at the end of the summer. The transfer of the fighters has allegedly begun. In the fall of 2022, London transferred Brimstone-2 missiles with increased range and laser guidance to the Armed Forces o Ukraine. In February 2024, the UK announced plans to transfer another 200 homing Brimstone missiles to Ukraine. The Brimstone family includes several modifications of missiles. They are launched mainly from aircraft, helicopters or unmanned vehicles to strike sea and land targets, including moving ones. One Brimstone missile costs about 175,000 pounds sterling ($234,500).




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Five Il-76 transport aircraft come out of order due to supplies of defective parts

The Russian Ministry of Defense reported damages of 130 million rubles due to the supplies of defective aircraft parts for the Ilyushin Il-76 military transport aircraft, the Izvestia newspaper wrote about it with reference to a source. It was revealed that the aircraft in operation had counterfeit bearings installed on them. The Investigative Committee for the Moscow Region sad that no further details of the case could be exposed for the interests of the investigation. It was reported that the case was initiated against unidentified persons from among the management of the Balashikha Foundry and Mechanical Plant (BLMZ). According to sources, the plant was recognized as the injured party in the case. Possible violations in the execution of documents for the bearings were committed by the Saratov Bearing Plant from which they were purchased.




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Russian billionaire: Sell dollars quickly, buy euro, yuan and gold instead

Russians should start selling dollars and buy euros, yuan and gold instead, businessman Oleg Deripaska believes. In his recent post on Telegram, Deripaska reacted to the statement from the author of the best-selling book "Rich Dad Poor Dad" Robert Kiyosaki about the future economic crisis in the United States. Kiyosaki, who predicted the collapse of Lehman Brothers in 2008, encouraged investors to buy more gold, silver and bitcoin. In his post, Deripaska published a link to Kiyosaki's interview with Fox Business.




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Russia annihilates airfields for F-16 fighters and underground command bunkers

Russia continues to annihilate bases in Ukraine that could be suitable for using F-16 fighter jets. On May 29, the Russian forces struck the Yavoriv training ground in Lviv Region yet again. Kinzhal missiles hit Yavoriv firing range According to the Ukrainian authorities, F-16 fighter jets, technical personnel and pilots arrived in Ukraine after Easter. On Sunday, the Russian Air Force launched Kh-47M2 Kinzhal hypersonic missiles to strike several airfields in Ukraine, including the Starokonstantinov airfield and the Yavoriv training ground. The latter sits 30 kilometres northwest of Lviv and 20 kilometres from the Polish border.




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China (Shenzhen) Cross Border E-commerce Fair set to unveil innovation and digital transformation this September

With e-commerce leaders such as Alibaba, Amazon, eBay, and TikTok on hand to share insights at the China (Shenzhen) Cross Border E-commerce Fair (CCBEC) from 11 – 13 September 2024, the show will welcome nearly 1,500 exhibitors from around the globe.




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Transport Ministry Restricts Aircraft Operation during College Entrance Exam

[Domestic] :
The transport ministry will restrict the takeoff and landing of all aircraft for about half an hour on Thursday to prevent distractions during the English listening portion of the annual College Scholastic Ability Test. The ministry said Tuesday that the restrictions will be in place from 1:05 p.m. to 1:40 ...

[more...]




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Son Heung-min to Sit Out Next Pair of 2026 World Cup Qualifiers Due to Injury

[Sports] :
Tottenham Hotspur forward Son Heung-min has been excluded from the South Korean national football team’s roster for the third round of 2026 FIFA World Cup qualifiers, after he sat out two recent Premier League matches due to a hamstring injury. The Korea Football Association(KFA) said Friday that it ...

[more...]




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Are There Any Trillionaires? Not Yet, But We'll See One Soon

A trillion dollars is a phenomenal sum of money, equivalent to 1,000 billion dollars. It's a figure so large it's almost unthinkable, yet we find ourselves wondering: Are there any trillionaires? According to Oxfam International, the world’s first trillionaire is predicted to emerge within the next decade.




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Meet the World's Youngest Billionaire: A 19-year-old in Brazil

While the average billionaire is 66 years old, there’s a dramatic shift taking place in the world of wealth. A new generation of billionaires is making headlines with their impressive fortunes. Around the globe, 14 individuals have reached a net worth of over $1 billion despite being 30 years old or younger — and the youngest billionaire is still in her teens.




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Got a Cowlick? Hair Styling Doesn't Have to Be Impossible

It's the rare person indeed who is always pleased with how their hair looks. Most of us have to fight it a little bit (or a lot) to get it the way we want it. If you have a cowlick, hair management is even more of a struggle.




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How to Clean a Hairbrush (and Why It's Important)

Your hairbrush is full of hair and dust, and you don't know how to clean it. Simply follow these instructions and learn how to clean a hairbrush.




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How to Connect AirPods to a Laptop (Windows and Mac)

Modern PCs and Macs use built-in Bluetooth to easily connect to your phone's AirPods. We'll show you how.




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What Reversed Compatibility Reveals About Pisces and Cancer Pairing

Explore reversed Pisces and Cancer compatibility! Learn how these water signs bond emotionally, support each other deeply, and thrive together in relationships.




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ClusterFinder: a fast tool to find cluster structures from pair distribution function data

A novel automated high-throughput screening approach, ClusterFinder, is reported for finding candidate structures for atomic pair distribution function (PDF) structural refinements. Finding starting models for PDF refinements is notoriously difficult when the PDF originates from nanoclusters or small nanoparticles. The reported ClusterFinder algorithm can screen 104 to 105 candidate structures from structural databases such as the Inorganic Crystal Structure Database (ICSD) in minutes, using the crystal structures as templates in which it looks for atomic clusters that result in a PDF similar to the target measured PDF. The algorithm returns a rank-ordered list of clusters for further assessment by the user. The algorithm has performed well for simulated and measured PDFs of metal–oxido clusters such as Keggin clusters. This is therefore a powerful approach to finding structural cluster candidates in a modelling campaign for PDFs of nanoparticles and nanoclusters.




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Instrumental broadening and the radial pair distribution function with 2D detectors

The atomic pair distribution function (PDF) is a real-space representation of the structure of a material. Experimental PDFs are obtained using a Fourier transform from total scattering data which may or may not have Bragg diffraction peaks. The determination of Bragg peak resolution in scattering data from the fundamental physical parameters of the diffractometer used is well established, but after the Fourier transform from reciprocal to direct space, these contributions are harder to identify. Starting from an existing definition of the resolution function of large-area detectors for X-ray diffraction, this approach is expanded into direct space. The effect of instrumental parameters on PDF peak resolution is developed mathematically, then studied with modelling and comparison with experimental PDFs of LaB6 from measurements made in different-sized capillaries.




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Exploiting Friedel pairs to interpret scanning 3DXRD data from complex geological materials

A new processing technique for synchrotron scanning 3D X-ray diffraction data is introduced, utilizing symmetric Bragg reflections hkl and hkl, known as Friedel pairs. This technique is designed to tackle the difficulties associated with large, highly deformed, polyphase materials, especially geological samples.




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Exploiting Friedel pairs to interpret scanning 3DXRD data from complex geological materials

The present study introduces a processing strategy for synchrotron scanning 3D X-ray diffraction (s3DXRD) data, aimed at addressing the challenges posed by large, highly deformed, polyphase materials such as crystalline rocks. Leveraging symmetric Bragg reflections known as Friedel pairs, our method enables diffraction events to be precisely located within the sample volume. This method allows for fitting the phase, crystal structure and unit-cell parameters at the intra-grain scale on a voxel grid. The processing workflow incorporates several new modules, designed to (i) efficiently match Friedel pairs in large s3DXRD datasets containing up to 108 diffraction peaks; (ii) assign phases to each pixel or voxel, resolving potential ambiguities arising from overlap in scattering angles between different crystallographic phases; and (iii) fit the crystal orientation and unit cell locally on a point-by-point basis. We demonstrate the effectiveness of our technique on fractured granite samples, highlighting the ability of the method to characterize complex geological materials and show their internal structure and mineral composition. Additionally, we include the characterization of a metal gasket made of a commercial aluminium alloy, which surrounded the granite sample during experiments. The results show the effectiveness of the technique in recovering information about the internal texture and residual strain of materials that have undergone high levels of plastic deformation.




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Orientational analysis of atomic pair correlations in nanocrystalline indium oxide thin films

The application of grazing-incidence total X-ray scattering (GITXS) for pair distribution function (PDF) analysis using >50 keV X-rays from synchrotron light sources has created new opportunities for structural characterization of supported thin films with high resolution. Compared with grazing-incidence wide-angle X-ray scattering, which is only useful for highly ordered materials, GITXS/PDFs expand such analysis to largely disordered or nanostructured materials by examining the atomic pair correlations dependent on the direction relative to the surface of the supporting substrate. A characterization of nanocrystalline In2O3-derived thin films is presented here with in-plane-isotropic and out-of-plane-anisotropic orientational ordering of the atomic structure, each synthesized using different techniques. The atomic orientations of such films are known to vary based on the synthetic conditions. Here, an azimuthal orientational analysis of these films using GITXS with a single incident angle is shown to resolve the markedly different orientations of the atomic structures with respect to the planar support and the different degrees of long-range order, and hence, the terminal surface chemistries. It is anticipated that orientational analysis of GITXS/PDF data will offer opportunities to extend structural analyses of thin films by providing a means to qualitatively determine the major atomic orientation within nanocrystalline and, eventually, non-crystalline films.




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Structural analysis of nanocrystals by pair distribution function combining electron diffraction with crystal tilting

As an important characterization method, pair distribution function (PDF) has been extensively used in structural analysis of nanomaterials, providing key insights into the degree of crystallinity, atomic structure, local disorder etc. The collection of scattering signals with good statistics is necessary for a reliable structural analysis. However, current conventional electron diffraction experiments using PDF (ePDF) are limited in their ability to acquire continuous diffraction rings for large nanoparticles. Herein, a new method – tilt-ePDF – is proposed to improve the data quality and compatibility of ePDF by a combination of electron diffraction and specimen tilting. In the present work, a tilt-series of electron diffraction patterns was collected from gold nanoparticles with three different sizes and a standard sample polycrystalline aluminium film for ePDF analysis. The results show that tilt-ePDF can not only enhance the continuity of diffraction rings, but can also improve the signal-to-noise ratio in the high scattering angle range. As a result, compared with conventional ePDF data, tilt-ePDF data provide structure parameters with a better accuracy and lower residual factors in the refinement against the crystal structure. This method provides a new way of utilizing ePDF to obtain accurate local structure information from nanoparticles.




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POMFinder: identifying polyoxometallate cluster structures from pair distribution function data using explainable machine learning

Characterization of a material structure with pair distribution function (PDF) analysis typically involves refining a structure model against an experimental data set, but finding or constructing a suitable atomic model for PDF modelling can be an extremely labour-intensive task, requiring carefully browsing through large numbers of possible models. Presented here is POMFinder, a machine learning (ML) classifier that rapidly screens a database of structures, here polyoxometallate (POM) clusters, to identify candidate structures for PDF data modelling. The approach is shown to identify suitable POMs from experimental data, including in situ data collected with fast acquisition times. This automated approach has significant potential for identifying suitable models for structure refinement to extract quantitative structural parameters in materials chemistry research. POMFinder is open source and user friendly, making it accessible to those without prior ML knowledge. It is also demonstrated that POMFinder offers a promising modelling framework for combined modelling of multiple scattering techniques.




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The pypadf package: computing the pair angle distribution function from fluctuation scattering data

The pair angle distribution function (PADF) is a three- and four-atom correlation function that characterizes the local angular structure of disordered materials, particles or nanocrystalline materials. The PADF can be measured using X-ray or electron fluctuation diffraction data, which can be collected by scanning or flowing a structurally disordered sample through a focused beam. It is a natural generalization of established pair distribution methods, which do not provide angular information. The software package pypadf provides tools to calculate the PADF from fluctuation diffraction data. The package includes tools for calculating the intensity correlation function, which is a necessary step in the PADF calculation and also the basis for other fluctuation scattering analysis techniques.




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Operando pair distribution function analysis of nanocrystalline functional materials: the case of TiO2-bronze nanocrystals in Li-ion battery electrodes

Structural modelling of operando pair distribution function (PDF) data of complex functional materials can be highly challenging. To aid the understanding of complex operando PDF data, this article demonstrates a toolbox for PDF analysis. The tools include denoising using principal component analysis together with the structureMining, similarityMapping and nmfMapping apps available through the online service `PDF in the cloud' (PDFitc, https://pdfitc.org/). The toolbox is used for both ex situ and operando PDF data for 3 nm TiO2-bronze nanocrystals, which function as the active electrode material in a Li-ion battery. The tools enable structural modelling of the ex situ and operando PDF data, revealing two pristine TiO2 phases (bronze and anatase) and two lithiated LixTiO2 phases (lithiated versions of bronze and anatase), and the phase evolution during galvanostatic cycling is characterized.




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Determining pair distribution functions of thin films using laboratory-based X-ray sources

This article demonstrates the feasibility of obtaining accurate pair distribution functions of thin amorphous films down to 80 nm, using modern laboratory-based X-ray sources. The pair distribution functions are obtained using a single diffraction scan without the requirement of additional scans of the substrate or of the air. By using a crystalline substrate combined with an oblique scattering geometry, most of the Bragg scattering of the substrate is avoided, rendering the substrate Compton scattering the primary contribution. By utilizing a discriminating energy filter, available in the latest generation of modern detectors, it is demonstrated that the Compton intensity can further be reduced to negligible levels at higher wavevector values. Scattering from the sample holder and the air is minimized by the systematic selection of pixels in the detector image based on the projected detection footprint of the sample and the use of a 3D-printed sample holder. Finally, X-ray optical effects in the absorption factors and the ratios between the Compton intensity of the substrate and film are taken into account by using a theoretical tool that simulates the electric field inside the film and the substrate, which aids in planning both the sample design and the measurement protocol.




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Coordinate-based simulation of pair distance distribution functions for small and large molecular assemblies: implementation and applications

X-ray scattering has become a major tool in the structural characterization of nanoscale materials. Thanks to the widely available experimental and computational atomic models, coordinate-based X-ray scattering simulation has played a crucial role in data interpretation in the past two decades. However, simulation of real-space pair distance distribution functions (PDDFs) from small- and wide-angle X-ray scattering, SAXS/WAXS, has been relatively less exploited. This study presents a comparison of PDDF simulation methods, which are applied to molecular structures that range in size from β-cyclo­dextrin [1 kDa molecular weight (MW), 66 non-hydrogen atoms] to the satellite tobacco mosaic virus capsid (1.1 MDa MW, 81 960 non-hydrogen atoms). The results demonstrate the power of interpretation of experimental SAXS/WAXS from the real-space view, particularly by providing a more intuitive method for understanding of partial structure contributions. Furthermore, the computational efficiency of PDDF simulation algorithms makes them attractive as approaches for the analysis of large nanoscale materials and biological assemblies. The simulation methods demonstrated in this article have been implemented in stand-alone software, SolX 3.0, which is available to download from https://12idb.xray.aps.anl.gov/solx.html.