### Sildenafil citrate data bundle

Paul Hodgkinson
A combination of solid-state NMR techniques, including 13C/1H correlation, 2H magic-angle spinning NMR and first principles calculation are employed to characterise the role of water in different hydration states of sildenafil citrate. The 13C spectrum is fully assigned for the first time and direct correlations made with respect to the crystal structure. 2H magic-angle spinning NMR is demonstrated to be a powerful tool for the study of dynamic and exchange processes in complex hydrate systems,...

### Deviations from Born-Oppenheimer mass scaling in spectroscopy and ultracold molecular physics: research data

Jeremy M. Hutson & Jesse J. Lutz
We investigate Born-Oppenheimer breakdown (BOB) effects (beyond the usual mass scaling) for the electronic ground states of a series of homonuclear and heteronuclear alkali-metal diatoms, together with the Sr$_2$ and Yb$_2$ diatomics. Several widely available electronic structure software packages are used to calculate the leading contributions to the total isotope shift for commonly occurring isotopologs of each species. Computed quantities include diagonal Born-Oppenheimer corrections (mass shifts) and isotopic field shifts. Mass shifts dominate for light...

### Supporting data: Measurement of the binding energy of ultracold 87Rb133Cs molecules using an offset-free optical frequency comb

Peter K. Molony
Data for the above publication, and Excel spreadsheets of the main analysis and error calculations.

### Data_for_the_paper_HD-2D_Routine_high-dispersion two-dimensional NMR

Juan A. Aguilar, Raquel Belda, Alan M. Kenwright & Adolfo Botana
The present manuscript showcases how compressive sensing and pure shift techniques can be combined to produce two-dimensional NMR spectra with a resolving power far higher than can be achieved by conventional means in just a fraction of the time. Compressive sampling can be used to extend the resolving power of multidimensional experiments, but the effective resolution is ultimately limited by the presence of multiplets. Pure shift techniques can remove the multiplet problem but they are...

### Supporting Data for Metal ‘Turn-off’, Anion ‘Turn-On’ Gelation Cascade in Pyridinylmethyl Ureas

Jonathan W. Steed
Underlying data for paper "Metal ‘Turn-off’, Anion ‘Turn-On’ Gelation Cascade in Pyridinylmethyl Ureas" submitted to Chemical Communications 15/11/16

### A high repetition rate experimental setup for quantum non-linear optics with cold Rydberg atoms: Supporting data

Hannes Busche, Simon W Ball & Paul Huillery
Supporting Data EPSJ

### Data for "Optimised conditions for the synthesis of 17O and 18O labelled cholesterol"

Robert V Law, Celia De La Calle Arregui, Jonathan A Purdie, Catherine A Haslam & John M Sanderson
A file index info.txt is present in the zip archive

### Supporting data: Thesis "Creation of Ultracold Polar Ground-State RbCs Molecules", Peter K. Molony, 2016

Peter K. Molony
This thesis reports the creation and trapping of 87RbCs molecules in the absolute ground state with a temperature of 1 uK. We build a tunable narrow-linewidth laser system at 1550 nm and 980 nm, using a single high-finesse optical cavity as a reference for both colours. We use fibre-coupled electro-optic modulators to continuously tune both lasers. These allow a novel measurement of the free spectral range of the cavity to better than 1 part in...

### Difference-frequency combs in cold atom physics: Supporting data

Matthew P. A. Jones, Elizabeth M. Bridge, Alistair D. Bounds, Niamh C. Keegan, Simon L. Cornish, Charles S. Adams, Jack Leonard, Wilhelm Kaenders, Patrick Leisching, Armin Zach, Alexander Sell, Felix Rohde, Thomas Puppe, Nazanin Hoghooghi & Russell Kliese
Supports the work "Difference-frequency combs in cold atom physics". Contains data for the beat notes and spectrum (the measured ion counts at each Rydberg laser detuning) shown in Figure 7.

### Durham RCUK Open Access Data Year 3 (Aug2015-Jul2016)

James Bisset, Sarah Hyland & Frederick W. F. Foulds
Data on compliance of Durham publications with RCUK Open Access policy, including APC spend from the RCUK block grant. Year 3: August 1st 2015 to July 31st 2016

### Data for "A single-mode external cavity diode laser using an intra-cavity atomic Faraday filter with short-term linewidth <400 kHz and long-term stability of <1 MHz"

James Keaveney
We report on the development of a diode laser system - the `Faraday laser' - using an atomic Faraday filter as the frequency-selective element. In contrast to typical external-cavity diode laser systems which offer tunable output frequency but require additional control systems in order to achieve a stable output frequency, our system only lases at a single frequency, set by the peak transmission frequency of the internal atomic Farady filter. Our system has both short-term...

### Bioinspired Breathable Architecture Data Archive

Rowan M Von Spreckelsen & Matthew T Harris
Abstract from paper: Thuja plicata is a coniferous tree which displays remarkable water channelling properties. In this article, an easily fabricated mesh inspired by the hierarchical macro surface structure of Thuja plicata branchlets is described which emulates this efficient water collection behaviour. The key parameters are shown to be the pore size, pore angle, mesh rotation, tilt angle (branch droop) and layering (branch overlap). Envisaged societal applications include water harvesting and low cost breathable architecture...

### Vikki Bird thesis supplementary data: Structure and dynamics in polystyrene/single-walled carbon nanotube nanocomposites via neutron scattering techniques

Vikki Bird
The dataset archive contains Origin software project files (*.opj). A free viewer to inspect data can be downloaded form http://www.originlab.com

### Direct loading of a large Yb MOT on the 1S0 → 3P1 transition(Data Files)

Alex Guttridge, Stephen Hopkins, Stefan Kemp, Danielle Boddy, Ruben Freytag, Matthew Jones, Michael Tarbutt, Ed Hinds & Simon Cornish
Data files used in "Fluorescence spectroscopy of an ytterbium atomic beam". For more information refer to the README.txt file included in data zip file.

### Supporting data: "Magnetic phase diagram of La_{2-x}Sr_{x}CoO_{4} revised using muon-spin relaxation"

Tom Lancaster
Abstract form the article: We report the results of a muon-spin relaxation (μSR) investigation of La_{2-x}Sr_{x}CoO_{4}, an antiferromagnetic insulating series which has been shown to support charge ordered and magnetic stripe phases and an hourglass magnetic excitation spectrum. We present a revised magnetic phase diagram, which shows that the suppression of the magnetic ordering temperature is highly sensitive to small concentrations of holes. Distinct behavior within an intermediate x range (0.2≤x≲0.6) suggests that the putative...

### Excitation of knotted vortex lines in matter waves: Supporting data

F. Maucher, Simon A. Gardiner & Ifan G. Hughes
Supporting data for the publication http://arxiv.org/abs/1512.01012, "Excitation of knotted vortex lines in matter waves". Authors: Fabian Maucher, Simon A. Gardiner, Ifan G. Hughes.

### Data from: "Intrinsic Optical Bistability in a Strongly-Driven Rydberg Ensemble"

Natalia R. De Melo, Nikola Šibalić, Christopher G. Wade, Jorge M. Kondo, Charles S. Adams & Kevin J. Weatherill

### Data for "Rationalising heteronuclear decoupling in refocussing applications of solid-state NMR"

Paul Hodgkinson & Ilya Frantsuzov
Factors affecting the performance of 1H heteronuclear decoupling sequences for magic-angle spinning (MAS) NMR of organic solids are explored, as observed by time constants for the decay of nuclear magnetisation under a spin-echo (T2'). Using a common protocol over a wide range of experimental conditions, including very high magnetic fields and very high radio-frequency (RF) nutation rates, decoupling performance is observed to degrade consistently with increasing magnetic field. Inhomogeneity of the RF field is found...

### Supporting Data for Pharmaceutical Polymorph Control in a Drug-Mimetic Supramolecular Gel

Jonathan A. Foster, Krishna K. Damodaran, Antoine Maurin, Graeme M. Day, Hugh P. G. Thompson, Gary S. Cameron, Jenifer Cuestra & Jonathan W. Steed
We report the synthesis of a bis(urea) gelator designed to specifically mimic the chemical structure of the highly polymorphic drug substance ROY. Crystallization of ROY from toluene gels of this gelator results in the formation of the metastable red form instead of the thermodynamic yellow polymorph. In contrast, all other gels and solution control experimetns give the yellow form. Conformational and crystal structure prediction methods have been used to propose the structure of the gel...

### Data for "Dressed-state electromagnetically induced transparency for light storage in uniform phase spin-waves"

Nikola Šibalić
We present, experimentally and theoretically, a scheme for dressed-state electromagnetically induced transparency (EIT) in a three-step cascade system where a four-level system is mapped into an effective three-level system. Theoretical analysis reveals that the scheme provides coherent state control via adiabatic following and provides a generalized protocol for light storage in uniform phase spin-waves that are insensitive to motional dephasing. The three-step driving enables a number of other features including spatial selectivity of the excitation...

### Generalized Dynamic Object Removal for Dense Stereo Vision Based Scene Mapping using Synthesised Optical Flow - Evaluation Dataset

O.K. Hamilton & Toby P. Breckon
Mapping an ever changing urban environment is a challenging task as we are generally interested in mapping the static scene and not the dynamic objects therein, such as cars and people. We propose a novel approach to the problem of dynamic object removal within stereo based scene mapping that is both independent of the underlying stereo approach in use and applicable to varying object motion relative to scene depth and camera motion. By leveraging both...

### Research data for "Transverse field muon-spin rotation measurement of the topological anomaly in a thin film of MnSi"

Tom Lancaster, F. Xiao, Z. Salman, I. O. Thomas, S.J. Blundell, F.L. Pratt, S.J. Clark, T. Prokscha, A. Suter, S.L. Zhang, A.A. Baker & T. Hesjedal
We present the results of transverse-field muon-spin rotation measurements on an epitaxially grown 40 nm thick film of MnSi on Si(111) in the region of the field-temperature phase diagram where a skyrmion phase has been observed in the bulk. We identify changes in the quasistatic magnetic field distribution sampled by the muon, along with evidence for magnetic transitions around T ≈ 40 and 30 K. Our results suggest that the cone phase is not the...

### Research data for "Testing the limits of NMR crystallography: the case of caffeine–citric acid hydrate"

Hannah E. Kerr
The crystal structure of a new 1:2 caffeine-citric acid hydrate cocrystal is presented. The caffeine molecules are disordered over two positions, with the nature of the disorder confirmed to be static by 13C solid-state NMR. NMR linewidths in statically disordered systems reflect the distribution of local chemical environments, and this study investigates whether the disorder contribution to 13C linewidths can be predicted computationally. The limits of NMR crystallography calculations using density functional theory are tested...

### Data for "Cooperative eigenmodes and scattering in 1D atomic arrays"

Robert J. Bettles, Simon A. Gardiner & Charles S. Adams

### Muon-spin relaxation study of the double perovskite insulators Sr2BOsO6 (B = Fe, Y, ln): Supporting data.

T Lancaster, R C Williams, F Xiao, I O Thomas, S J Clark, G A Cornish, S J Blundell, W Hayes, A K Paul, C Felser & M Jansen
Supporting data for the paper "Muon-spin relaxation study of the double perovskite insulators Sr2BOsO6 (B = Fe, Y, ln)"

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