Explanipedia

Speaking Stata: Some notes on quadratic fits Open

Nicholas J. Cox · 2025

Quadratic fits are often used in regression and other modeling projects as either the whole of a model or part of a larger model. In this column, I discuss various small Stata devices that may help, including the twoway qfit command, calcu…

Characterising Side Chain Conformations in Proteins Using <sup>19</sup> F‐ENDOR and New Fluorinated Amino Acid Spin Labels Open

Martyna Judd, Elwy H. Abdelkader, Haocheng Qianzhu, Edan Habel, C. M. LINDSAY , et al. · 2025

It has recently been shown that distances > 20 Å can be measured between Gd 3+ spin tags and 19 F labels in proteins using 19 F‐ENDOR at 94 GHz. Here we examine the precision with which this method can locate the positions of (aromatic) am…

Speaking Stata: Nine notes on dealing with dates and times Open

Nicholas J. Cox · 2025

This is an informal overview of several key points in dealing with date and time data in Stata. Dates and times in Stata are integers with specified units. Years are usually easy to handle. Otherwise, dates in Stata have origin at the begi…

Stata tip 162: Add marginal rugs using marker symbols or axis ticks Open

Nicholas J. Cox · 2025

Room‐Temperature Luminescence from a Biscyclometalated Platinum(II) Complex Bearing Radical as Ancillary Ligand Open

Sandhya Verma, Robert Malmberg, Julien Langley, Kausala Mylvaganam, Nicholas J. Cox , et al. · 2025

Doublet emission from transition metal complexes presents a promising approach to enhance the long‐term stability of organic light‐emitting diodes (OLEDs) by mitigating triplet–triplet annihilation, a key factor that degrades OLED performa…

Inverse Design of Molecular Qudits for Quantum Circuitry Open

Edward Latham, Alice M. Bowen, Nicholas J. Cox, Nicholas F. Chilton · 2025

The development of molecular quantum bits (qubits) for quantum information processing is a lofty goal. While many contemporary works investigate their potential for error correction, fault-tolerance, memories, etc., there is still a lack o…

Integrating plasmon and vacancies over oxide perovskite for synergistic CO2 methanation Open

Shuwen Cheng, Zhehao Sun, Kang Hui Lim, Claudia Li, Martyna Judd , et al. · 2025

Speaking Stata: Getting by without the by() option: Some graphics for unequal groups Open

Nicholas J. Cox · 2024

The by() option of the graph command is often used to show groups or subsets of some data in separate panels or facets of a graphical display. If groups are unequal in size, the result may seem awkward or inefficient in use of space. Devic…

Stata tip 158: The devil is in the delta Open

Nicholas J. Cox · 2024

Elucidating Polyphosphate Anion Binding to Lanthanide Complexes Using EXAFS and Pulsed EPR Spectroscopy Open

Hannah K. Pyle, Martyna Judd, Anthony Barancewicz, Alexander J. Mayer, Nicholas J. Cox , et al. · 2024

Reversible anion binding to lanthanide complexes in aqueous solution has emerged as an effective method for anion sensing. Through careful design of the organic ligand, luminescent lanthanide complexes capable of binding biologically relev…

Atomic Dispersed Co on NC@Cu Core‐Shells for Solar Seawater Splitting Open

Zhehao Sun, Shuwen Cheng, Xuechen Jing, Kaili Liu, Yilun Chen , et al. · 2024

With freshwater resources becoming increasingly scarce, the photocatalytic seawater splitting for hydrogen production has garnered widespread attention. In this study, a novel photocatalyst consisting of a Cu core coated is introduced with…

Speaking Stata: Quantile–quantile plots, generalized Open

Nicholas J. Cox · 2024

Quantile-quantile plots in the precise sense of scatterplots showing corresponding quantiles of two variables have long been supported by official command qqplot. That command is generalized here in several ways in a new command, qqplotg. …

Stata tip 156: Concentration and diversity measures using egen Open

Nicholas J. Cox · 2024

Stata tip 157: Adding extra lines to graphs Open

Nicholas J. Cox · 2024

Neural Network Emulation of Flow in Heavy-Ion Collisions at Intermediate Energies Open

Nicholas J. Cox, Xavier Grundler, Bao-An Li · 2024

Applications of new techniques in machine learning are speeding up progress in research in various fields. In this work, we construct and evaluate a deep neural network (DNN) to be used within a Bayesian statistical framework as a faster a…

Speaking Stata: The joy of sets: Graphical alternatives to Euler and Venn diagrams Open

Nicholas J. Cox, Tim P. Morris · 2024

Membership of overlapping or intersecting sets may be recorded in a bundle of (0, 1) indicator variables. Annotated Euler or Venn diagrams may be used to show graphically the frequencies of subsets so defined, but beyond just a few sets su…

Assignment of the slowly exchanging substrate water of nature’s water-splitting cofactor Open

Casper de Lichtenberg, Leonid Rapatskiy, Michael Reus, Eiri Heyno, Alexander Schnegg , et al. · 2024

Identifying the two substrate water sites of nature’s water-splitting cofactor (Mn 4 CaO 5 cluster) provides important information toward resolving the mechanism of O-O bond formation in Photosystem II (PSII). To this end, we have performe…

Announcement of the Stata Journal Editors’ Prize 2024 Open

Nicholas J. Cox, Stephen P. Jenkins · 2024

A lanthanide tag for a complementary set of pseudocontact shifts Open

Lydia Topping, Adarshi P. Welegedara, Martyna Judd, Elwy H. Abdelkader, Nicholas J. Cox , et al. · 2024

We present a new lanthanide tag C14, which differs from our C12 tag by a single oxygen atom and generates distinct and complementary pseudocontact shifts, enhancing protein structure determination via paramagnetic NMR, EPR and emission spe…

CCDC 2266510: Experimental Crystal Structure Determination Open

Michael A. Stevens, Li Feng Lim, Le Nhan Pham, Nicholas J. Cox, Michelle L. Coote , et al. · 2023

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …

CCDC 2266513: Experimental Crystal Structure Determination Open

Michael A. Stevens, Li Feng Lim, Le Nhan Pham, Nicholas J. Cox, Michelle L. Coote , et al. · 2023

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …

CCDC 2266512: Experimental Crystal Structure Determination Open

Michael A. Stevens, Li Feng Lim, Le Nhan Pham, Nicholas J. Cox, Michelle L. Coote , et al. · 2023

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …

CCDC 2266511: Experimental Crystal Structure Determination Open

Michael A. Stevens, Li Feng Lim, Le Nhan Pham, Nicholas J. Cox, Michelle L. Coote , et al. · 2023

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …

Speaking Stata: Finding the denominator: Minimum sample size from percentages Open

Nicholas J. Cox · 2023

Percentage breakdowns for a series of classes or categories are sometimes reported without a specification of class frequencies or even the total sample size. This column surveys the problem of estimating the minimum sample size and class …

Stabilization and One Electron Reduction of a Silicon Analogue of a Carboxylic Acid Anhydride Open

Yixiao Jiang, K. Yuvaraj, Thayalan Rajeshkumar, Li Feng Lim, Nicholas J. Cox , et al. · 2023

Reaction of the 1,2-disilylenes {(DipArAm)Si}2 (DipArAm = [(NDip)2CAr]-, Dip = 2,6-diisopropylphenyl, Ar = 4-C6H4But (Ar’) 1a or Ph 1b) and two abnormal N-heterocyclic silylenes, (DipArAm)SiOCSi{(NDip)2CAr} (Ar = Ar’ 3a or Ph 3b) with N2O …

Speaking Stata: Replacing missing values: The easiest problems Open

Nicholas J. Cox · 2023

Missing values are common in real datasets, and what to do about them is a large and challenging question. This column focuses on the easiest problems in which a researcher is clear, or at least highly confident, about what missing values …

CCDC 2277691: Experimental Crystal Structure Determination Open

Liam M. Pascoe, Li Feng Lim, Fabian Kallmeier, Nicholas J. Cox, Penelope J. Brothers , et al. · 2023

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …

CCDC 2277696: Experimental Crystal Structure Determination Open

Liam M. Pascoe, Li Feng Lim, Fabian Kallmeier, Nicholas J. Cox, Penelope J. Brothers , et al. · 2023

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …

CCDC 2277692: Experimental Crystal Structure Determination Open

Liam M. Pascoe, Li Feng Lim, Fabian Kallmeier, Nicholas J. Cox, Penelope J. Brothers , et al. · 2023

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …

CCDC 2277693: Experimental Crystal Structure Determination Open

Liam M. Pascoe, Li Feng Lim, Fabian Kallmeier, Nicholas J. Cox, Penelope J. Brothers , et al. · 2023

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …

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