cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17632/mdxx6hcfbw
title: BilKristal 4.0: A tool for crystal parameters extraction and defect quantification

description: Abstract In this paper, we present a revised version of BilKristal 3.0 tool. Raycast screenshot functionality is added to provide improved visual analysis. We added atomic distance analysis functionality to assess crystalline defects. We improved visualization capabilities by adding high level cut function definitions. Discovered bugs are fixed and small performance optimizations are made. Title of program: BilKristal 4.0 Catalogue Id: ADYU_v4_0 Nature of problem Determining the crystal structure parameters of a material is a very important issue in crystallography. Knowing the crystal structure parameters helps the understanding of the physical behavior of material. For complex structures, particularly for materials which also contain local symmetry as well as global symmetry, obtaining crystal parameters can be very hard. Versions of this program held in the CPC repository in Mendeley Data ADYU_v1_0; BilKristal; 10.1016/j.cpc.2007.01.002 ADYU_v2_0; BilKristal 2.0.; 10.1016/j.cpc.2013.09.020 ADYU_v3_0; BilKristal 3.0; 10.1016/j.cpc.2014.09.017 ADYU_v4_0; BilKristal 4.0; 10.1016/j.cpc.2015.04.013 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/jvrhhfp4g4
title: KORALB version 2.1. An upgrade with the TAUOLA library of τ decays

description: Abstract An upgrade of the Monte Carlo program for τ pair production including τ mass, spin and QED ϕ (α) effects is presented. Its main feature is the interface to the new τ decay Monte Carlo library TAUOLA. Title of program: KORALB, version: 2.1 Catalogue Id: AABH_v2_0 [ABZO] Nature of problem Comparison with the previous version, and reasons for the new version: The powerful tau decay library is now available. The physics content of the tau production part of the program remains the same. The additional routine KORALB is added to make the program more user friendly. CORRECTION SUMMARY: Vol:Year:Page 0:unpublished:unpublished "000ACORRECTION 21/11/91" "Unpublished correction to KORALB version 2.1, An upgrade with TAUOLA library of tau decays." S. Jadach; Z. Was Note: correction instructions are contained in source code Versions of this program held in the CPC repository in Mendeley Data AABH_v1_0; KORAL-B; 10.1016/0010-4655(85)90123-7 AABH_v2_0; KORALB, version: 2.1; 10.1016/0010-4655(91)90037-L AABH_v3_0; KORALB, version: 2.4; 10.1016/0010-4655(94)00091-F This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/nsv526w49m
title: IASTM ELECTROMASSAGE HAND MASSAGE study

description: Objectives: To evaluate Instrument Assisted Soft Tissue Mobilization (IASTM) compared to vibration massage and light hand massage on hamstrings’ flexibility and knee proprioception. Design: Repeated measures design under 3 different experimental conditions. Methods: 16 male participants were randomly assigned in 3 single-session interventions delivered with a 1-week time interval over the hamstrings of their dominant leg: (a) 5min IASTM, (b) 5min Vibration Massage and (c) 8min Light Hand-Massage, considered as placebo. An active knee angle reproduction proprioception test and the back-saver sit and reach flexibility test were performed before and immediately after each intervention. Statistical analysis included reliability assessment of the 2 outcomes and of interventions with a two-factor repeated measures ANOVA (intervention x time). Results: Reliability indices for flexibility (ICC3,1=0.97-0.99/SEM=0.83-1.52 cm) and proprioception (ICC3,1=0.83-0.88/SEM=1.63-2.02o) were very good. For flexibility, statistically significant immediate increases were noted in all 3 groups (1.61-3.23 cm), with no between-group differences. For proprioception, improvements noted in the IASTM (2.12o) and Vibration Massage (0.32o) conditions were not statistically significant. Conclusion: Muscle flexibility and proprioception after a single intervention of IASTM, Vibration Massage or Light Hand Massage were similarly positively affected. Further research is required to examine their preventive role against hamstring strains and knee injuries.
DOI: 10.17632/jpndmyhwyz
title: WIZJET: A Monte Carlo program for hadronic production of W ± and Z0 simulating the standard model with inclusion of initial QCD Bremsstrahlung

description: Title of program: WIZJET Catalogue Id: AAVS_v1_0 Nature of problem Simulation of Quantum Chromodynamics (QCD) and of the Weinberg-Salam model in the hadronic production of the weak bosons W^+- and Z0 and of the Drell-Yan continuum, in association with jets due to initial QCD bremsstrahlung. CORRECTION SUMMARY: Vol:Year:Page 34:1985:427 "000A CORRECTION 21/11/84" "WIZJET: a Monte Carlo program for hadronic production of W+- and Z0 simulating the standard model with inclusion of initial QCD bremsstrahlung. (C.P.C. 32(1984)173)." R. Odorico Note: correction instructions are contained in source code Versions of this program held in the CPC repository in Mendeley Data AAVS_v1_0; WIZJET; 10.1016/0010-4655(84)90068-7 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/spwn9pftg3
title: GLOMAC : a one dimensional numerical model for steady state low pressure mercury-noble gas discharges

description: Abstract A computer code for describing low pressure mercury-noble gas discharges, with particular application to flourescent lighting, is described. Diffusion equations are formulated for ground and excited states of mercury atoms, and also electrons and molecular mercury ions. All important inelastic process involving mercury atoms and molecules are included. Allowance is also made for the thermal conduction of noble gas temperature. The electron distribution function is computed from an analytic fo... Title of program: GLOMAC Catalogue Id: ACLP_v1_0 Nature of problem A computer code for modelling low pressure mercury-noble gas discharges, with particular application to fluorescent lighting, is described. Diffusion equations are formulated for ground and excited states of mercury atoms, and also electrons and atomic and molecular mercury ions. All important inelastic processes involving mercury atoms and molecules are included. Allowance is also made for thermal conduction of noble gas temperature. The electron distribution function is computed from an analyt ... Versions of this program held in the CPC repository in Mendeley Data ACLP_v1_0; GLOMAC; 10.1016/0010-4655(93)90173-A This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/nkj544vws6
title: Data on Household Welfare in the Eastern Cape Province of South Africa

description: The data contain demographic information of respondents/household, their sources of income and livelihood, indicators or component of food security using household dietary diversity score (HDDS), and relevant information to construct a multidimensional poverty index Three notable findings include: low consumption of nutritious food components in the province, high intensity of multidimensional poverty and standard of living dimension being the major source of multidimensional poverty in the province. How the data can be interpreted: Data can be interpreted using both descriptive statistics and inferential statistics through relevant econometric modelings
DOI: 10.17632/tcxggyh4y8
title: Code C# for chaos analysis of relativistic many-body systems with reactions

description: Abstract In this work we present a reaction module for "Chaos Many-Body Engine" (Grossu et al., 2010 [1]). Following our goal of creating a customizable, object oriented code library, the list of all possible reactions, including the corresponding properties (particle types, probability, cross section, particle lifetime, etc.), could be supplied as parameter, using a specific XML input file. Inspired by the Poincaré section, we propose also the "Clusterization Map", as a new intuitive analysis method ... Title of program: Chaos Many-Body Engine v02 Catalogue Id: AEGH_v2_0 Nature of problem Chaos analysis of three-dimensional, relativistic many-body systems with reactions. Versions of this program held in the CPC repository in Mendeley Data AEGH_v1_0; Chaos Many-Body Engine v01; 10.1016/j.cpc.2010.04.015 AEGH_v2_0; Chaos Many-Body Engine v02; 10.1016/j.cpc.2012.01.009 AEGH_v3_0; Chaos Many-Body Engine v03; 10.1016/j.cpc.2012.12.012 AEGH_v4_0; Chaos Many-Body Engine v04.1; 10.1016/j.cpc.2013.12.024 AEGH_v5_0; Chaos Many-Body Engine v05; 10.1016/j.cpc.2014.06.014 AEGH_v6_0; Chaos Many-Body Engine v06; 10.1016/j.cpc.2015.04.027 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/4f9st58266
title: A new version of minuit program for a PDP11/34A computer system

description: Title of program: PDP-MINUIT Catalogue Id: ACWH_v2_0 [AAVP] Nature of problem A large number of problems can be reduced to the problem of finding the minimum value taken on by a function of one or more variable parameters. The classic example is the estimation of unknown parameters in a theory by minimizing the difference (chi-square) between theory and experimental data and the establishment of the errors of these parameters. In this kind of problem the theory is represented by a function F(xi), where xi are the unknown parameters of the theory. Versions of this program held in the CPC repository in Mendeley Data ACWH_v1_0; MINUIT; 10.1016/0010-4655(75)90039-9 ACWH_v2_0; PDP-MINUIT; 10.1016/0010-4655(84)90079-1 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/4sj8vkkjjd
title: First-principle self consistent calculation files for the full geometry optimization of Fe0.02-Si0.95Ge0.05 and Fe0.02-Si0.91Ge0.09 structures at various low pressures

description: We have calculated the formation energy of Fe in Si1-xGex alloy at various composition x and various low pressures. Attached are the first-principle calculation files (input and corresponding output files) obtained using Quantum espresso DFT software (https://www.quantum-espresso.org/). The files are for the full geometry optimization of the structures Fe0.02-Si0.95Ge0.05 and Fe0.02-Si0.91Ge0.09 at pressures 0-8 GPa. The rest of the files for the other concentrations are not attached to avoid crowding the space. However, they have the same calculation setup as the attached ones.
DOI: 10.17632/ktzvvv3fd2
title: Constructing a space from the geodesic equations

description: Abstract Given a space with a metric tensor defined on it, it is easy to write down the system of geodesic equations on it by using the formula for the Christoffel symbols in terms of the metric coefficients. In this paper the inverse problem, of reconstructing the space from the geodesic equations is addressed. A procedure is developed for obtaining the metric tensor explicitly from the Christoffel symbols. The procedure is extended for determining if a second order quadratically semi-linear system c... Title of program: geodesicCOMMENTED.nb Catalogue Id: AEBA_v1_0 Nature of problem The code we have developed calculates the space when the geodesic equations are given. Versions of this program held in the CPC repository in Mendeley Data AEBA_v1_0; geodesicCOMMENTED.nb; 10.1016/j.cpc.2008.04.001 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/rf487v3cwr
title: Data for: Characteristics of pulse-waveform and laser-Doppler indices in frozen-shoulder patients
DOI: 10.25934/pr00007372.15
title: Available IPD datapackage for study 'A Phase III, Open-Label, Randomized Study of Atezolizumab in Combination With Bevacizumab Compared With Sorafenib in Patients With Untreated Locally Advanced or Metastatic Hepatocellular Carcinoma'

description: This study will evaluate the efficacy and safety of atezolizumab in combination with bevacizumab compared with sorafenib in participants with locally advanced or metastatic Hepatocellular Carcinoma (HCC) who have received no prior systemic treatment.
DOI: 10.17632/dk36dtm3dw
title: The effectiveness of topical calcineurin inhibitors comparing with topical corticosteroids in the treatment of vitiligo: a systematic review and meta-analysis (supplemental data)

description: Table. Basic characteristics of included studies in qualitative synthesis. Figure. PRISMA flowchart of the selection of studies
DOI: 10.17632/dk6zjxpp8g
title: Evolution program for parton densities with perturbative heavy flavor boundary conditions

description: Abstract A new code for the scale evolution of modified-minimal-subtraction-scheme parton densities is described. Through next-to-leading order the program uses exact evolution kernels. In next-to-next-to-leading order approximate evolution kernels are used. For efficiency the program includes analytical results for the evaluation of the weights required for the integrations over the longitudinal momentum fractions of the partons. It also incorporates the operator matrix elements required for the matc... Title of program: ADENS Catalogue Id: ADPL_v1_0 Nature of problem Solution of the parton density evolution equations with LO, NLO and NNLO splitting functions and NLO, NNLO heavy flavor threshold matching conditions. Versions of this program held in the CPC repository in Mendeley Data ADPL_v1_0; ADENS; 10.1016/S0010-4655(01)00455-6 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/vh7dv7rgm5
title: Data for: Facies, petrophysical and geochemical properties of gravity-flow deposits in reservoir analogs from the Itararé Group, Paraná Basin, Brazil
DOI: 10.17632/g43vvwhv6z
title: UPEAK — Spectro-oriented routine for mixture decomposition

description: Title of program: UPEAK Catalogue Id: ABAA_v1_0 Nature of problem The program decomposes one-dimensional spectra of nuclear or molecular emission (absorption) into the components of interest and those of background, and evaluates such quantities as positions, areas and widths of the components of interest. Versions of this program held in the CPC repository in Mendeley Data ABAA_v1_0; UPEAK; 10.1016/0010-4655(78)90036-X This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/3yn6tjz9ds
title: Qualitative and quantitative evaluation of a new wearable device for ECG and respiratory Holter monitoring

description: Background: Recent advances in wearable technology make continuous cardiorespiratory monitoring possible, with potential applications in assessment of cardiopulmonary patients, healthy subjects and athletes. The aim of the present study was to qualitatively and quantitatively evaluate a new wearable device (Learn Inspire Free Entertain = L.I.F.E.) by embedding in a compression shirt a 12‑lead ECG system and 5 respiratory sensors. Methods: Thirty cardiorespiratory patients and ten healthy subjects were studied for 24 h during their usual life activities. In 8 healthy subjects, simultaneous measurements of the device and of an ergo-spirometer were performed during different levels of ventilation in five different body positions. The quality of ECG signals in terms of measurability of heart rate, P wave, QRS complex and ST segment, was analyzed by four expert cardiologists/respiratory physiologists using an arbitrary 1–5 scale. The sum of the respiratory signals was used to calculate the respiratory rate, inspiratory time and relative changes of tidal volume. These parameters were compared to ergo-spirometer measurements. Results: Median quality value was &gt;3 for heart rate, QRS complex, ST segment and P wave (except in L3, aVL, aVF, V1 and V2 leads). Median quality of respiratory traces was &gt;4 in patients and between 3 and 4 in healthy subjects. The respiratory monitoring of respiratory rate and inspiratory time was accurate in all body positions. Tidal volumes were underestimated due to a high level of ventilation. Conclusions: The L.I.F.E. device provides an accurate continuous monitoring of cardiorespiratory signals during the 24 h both in normal subjects and cardiorespiratory patients.
DOI: 10.17632/g8rrmmbp7r
title: Creating Value with Model Based Systems Engineering

description: Results from online surveys and semi structured interviews among the employees of the researched contstruction company
DOI: 10.17632/5hnm2nr33j
title: PC-fortran programs for muon reactivation calculations in muon-cataluzed fusion

description: Abstract The introduction of a μ^-particle into a mixture of hydrogen isotopes brings about a repetitive cycle of processes leading to nuclear fusion and the release of energy. Sticking is one of the critical processes limiting the number of fusions induced by one muon during its lifetime. When the (αμ)^+ion created with the energy E=3.46 MeV is slowed down in a dense DT mixture, the muon can be stripped (reactivated), thus allowing the muon to return to the catalytic cycle. The coupled differenti... Title of program: DPDE Catalogue Id: ABRQ_v1_0 Nature of problem The introduction of a mu- particle into a mixture of hydrogen isotopes brings about a repetitive cycle of processes leading to nuclear fusion and the release of energy. Sticking is one of the critical processes limiting the number of fusions induced by one muon during its lifetime. When the (alpha mu)+ ion created with the energy E=3.46 MeV is slowed down in a dense D-T mixture, the muon can be stripped (reactivated), thus allowing the muon to return to the catalytic cycle. Versions of this program held in the CPC repository in Mendeley Data ABRQ_v1_0; DPDE; 10.1016/0010-4655(90)90093-G This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/rbj6j9b4pg
title: Ellips — A FORTRAN simulation of a polarization-modulation ellipsometer

description: Abstract Title of program: ELLIPS Catalogue number: ACXK Program obtainable from: CPC Program Library, Queen's University of Belfast, N. Ireland (see application form in this issue). Computer: Texas Instruments ASC II, Installation: NRL Operating system: OS4.021 Programming language used: FORTRAN IV High speed storage required: 20 500 words No. of bits in a word: 32 Overlay structure: none Peripherals used: Card reader, printer No. of cards in combined program and test deck: 1209 Card punching code: E... Title of program: ELLIPS Catalogue Id: ACXK_v1_0 Nature of problem The problem treated is the analysis of the effect, on the detected AC signals, of imperfections in and misalignment of the optical components of a polarization-modulation ellipsometer. This permits correction of the values of psi and delta (characteristics of the sample surface) for systematic error, estimation of the uncertainty in the final result, and identification of the most significant sources of experimental error. Versions of this program held in the CPC repository in Mendeley Data ACXK_v1_0; ELLIPS; 10.1016/0010-4655(77)90015-7 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/x73vj9572h
title: Microprobe data and pseudosection files - Samples IESP3SP53 & IESP3SP56 - Acquadolce subunit - Elba (Italy)

description: Microprobe data (mineral spot analyses) obtained on samples IESP3SP53 and IESP3SP56 (includes: core files, .txt files, settings, exported images), XRF analyses (excel table) and phase equilibria modeling files (PERPLE_X files, settings), used to build phase equilibrium diagrams on both samples. Electron Microprobe - CAMECA SX100 - Stuttgart University, Germany XRF - Panalytical PW2400 - Stuttgart University, Germany
DOI: 10.17632/br2rsgnz4p
title: Data for: Effect of He-Ne laser irradiation on embryonic development in chicken eggs Short title: Photobiomodulation and chicken eggs

description: This study investigated the influence of He-Ne laser irradiation at different doses during the developmental process of chicken embryos. Freshly fertilized chicken eggs were exposed during the first 48 hours post-laying to laser radiation at a wavelength of 632 nm with different laser doses (0.1, 0.2, 0.3, 1 and 2 mJ/cm2) for different times (20-400 secs) from a He-Ne laser. Following exposure, the eggs were incubated till the 11th day without laser radiation, when the. embryos were removed from the eggs and studied blind. Each of the exposed groups revealed some developmental anomalies compared with the respective sham–exposed control group. There was some dose-response evident with the highest incidence of abnormalities being 6/50 or 12% in the 2 mJ/cm2 group. Histopathological features were examined in the chick embryos using optical microscopy of stained slides. The distribution of naturally occurring apoptosis in chick embryos was studied by electron microscopic imaging. Significantly elevated levels of circulating cytokines (IL-2 and INF- γ) were found in exposed groups compared to sham–exposed embryos. Collectively, these results suggest that exposure to the higher doses of laser can provoke irreparable developmental alterations, and may have implications for photobiomodulation therapy.
DOI: 10.17632/43d2ppzz8t
title: AUTOX — A program for autoindexing reflections from multiphase polycrystals

description: Abstract The paper describes a correct mathematical formulation of the autoindexing problem, a method for its solution and a program implimenting the method for autoindexing experimental reflections. Its main features are the possibility of analyzing multiphase polycrystals, and efficient fit procedure and qualitative analysis of the sample symmetry. Title of program: AUTOX Catalogue Id: ADAS_v1_0 Nature of problem The program is intended to assign experimentally measured diffraction peaks from a multi-phase powder sample to corresponding Miller indices and to estimate parameters of lattices in this sample. Versions of this program held in the CPC repository in Mendeley Data ADAS_v1_0; AUTOX; 10.1016/0010-4655(94)00151-Q This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/s28kxmk2ww
title: Utilities for the Ratip package

description: Abstract During recent years, the Ratip package has been applied successfully for studying the behaviour and properties of open-shell atoms and ions within a relativistic framework. A series of case studies on the transition probabilities and lifetimes as well as for autoionization processes of different open-shell ions showed that it is possible today to make accurate predictions if all the dominant effects from relativity, correlation, and from the rearrangement of the electron density are treated o... Title of program: UTILITIES Catalogue Id: ADPD_v1_0 Nature of problem In the framework of the RATIP package, a toolbox supports a variety of (smaller) tasks. It facilitates, for example, the file and data handling in large-scale applications or the interpretation of complex spectra. Versions of this program held in the CPC repository in Mendeley Data ADPD_v1_0; UTILITIES; 10.1016/S0010-4655(01)00400-3 ADPD_v2_0; UTILITIES (version 2); 10.1016/j.cpc.2006.04.010 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/vv36vsnmkn
title: Data for: Evaluation by LA-MC-ICP-MS of NIST 612 Pb isotopic composition as external reference material and a new proxy for environmental characterization using (carbonatic) bivalves shells

description: suplementary Pb data