scholarly journals THORONDOR: a software for fast treatment and analysis of low-energy XAS data

2020 ◽  
Vol 27 (6) ◽  
pp. 1741-1752
Author(s):  
David Horst Simonne ◽  
Andrea Martini ◽  
Matteo Signorile ◽  
Alessandro Piovano ◽  
Luca Braglia ◽  
...  

THORONDOR is a data treatment software with a graphical user interface (GUI) accessible via the browser-based Jupyter notebook framework. It aims to provide an interactive and user-friendly tool for the analysis of NEXAFS spectra collected during in situ experiments. The program allows on-the-fly representation and quick correction of large datasets from single or multiple experiments. In particular, it provides the possibility to align in energy several spectral profiles on the basis of user-defined references. Various techniques to calculate background subtraction and signal normalization have been made available. In this context, an innovation of this GUI involves the usage of a slider-based approach that provides the ability to instantly manipulate and visualize processed data for the user. Finally, the program is characterized by an advanced fitting toolbox based on the lmfit package. It offers a large selection of fitting routines as well as different peak distributions and empirical ionization potential step edges, which can be used for the fit of the NEXAFS rising-edge peaks. Statistical parameters describing the goodness of a fit such as χ2 or the R-factor together with the parameter uncertainty distributions and the related correlations can be extracted for each chosen model.

2016 ◽  
Vol 12 (S327) ◽  
pp. 25-27
Author(s):  
J. I. Campos-Rozo ◽  
S. Vargas Domínguez

AbstractPython is considered to be a mature programming language, besides of being widely accepted as an engaging option for scientific analysis in multiple areas, as will be presented in this work for the particular case of solar physics research. SunPy is an open-source library based on Python that has been recently developed to furnish software tools to solar data analysis and visualization. In this work we present a graphical user interface (GUI) based on Python and Qt to effectively compute proper motions for the analysis of time series of solar data. This user-friendly computing interface, that is intended to be incorporated to the Sunpy library, uses a local correlation tracking technique and some extra tools that allows the selection of different parameters to calculate, vizualize and analyze vector velocity fields of solar data, i.e. time series of solar filtergrams and magnetograms.


Crystals ◽  
2020 ◽  
Vol 10 (8) ◽  
pp. 664 ◽  
Author(s):  
Andrea Martini ◽  
Elisa Borfecchia

X-ray absorption spectroscopy (XAS) today represents a widespread and powerful technique, able to monitor complex systems under in situ and operando conditions, while external variables, such us sampling time, sample temperature or even beam position over the analysed sample, are varied. X-ray absorption spectroscopy is an element-selective but bulk-averaging technique. Each measured XAS spectrum can be seen as an average signal arising from all the absorber-containing species/configurations present in the sample under study. The acquired XAS data are thus represented by a spectroscopic mixture composed of superimposed spectral profiles associated to well-defined components, characterised by concentration values evolving in the course of the experiment. The decomposition of an experimental XAS dataset in a set of pure spectral and concentration values is a typical example of an inverse problem and it goes, usually, under the name of multivariate curve resolution (MCR). In the present work, we present an overview on the major techniques developed to realize the MCR decomposition together with a selection of related results, with an emphasis on applications in catalysis. Therein, we will highlight the great potential of these methods which are imposing as an essential tool for quantitative analysis of large XAS datasets as well as the directions for further development in synergy with the continuous instrumental progresses at synchrotron sources.


2016 ◽  
Vol 23 (5) ◽  
pp. 1131-1136 ◽  
Author(s):  
Yogesh Kashyap ◽  
Hongchang Wang ◽  
Kawal Sawhney

A portable device forin situmetrology of synchrotron X-ray mirrors based on the near-field speckle scanning technique has been developed. Ultra-high angular sensitivity is achieved by scanning a piece of abrasive paper or filter membrane in the X-ray beam. In addition to the compact setup and ease of implementation, a user-friendly graphical user interface has been developed to ensure that optimizing active X-ray mirrors is simple and fast. The functionality and feasibility of this device have been demonstrated by characterizing and optimizing X-ray mirrors.


Author(s):  
Yorick Bernardus Cornelis van de Grift ◽  
Nika Heijmans ◽  
Renée van Amerongen

AbstractAn increasing number of ‘-omics’ datasets, generated by labs all across the world, are becoming available. They contain a wealth of data that are largely unexplored. Not every scientist, however, will have access to the required resources and expertise to analyze such data from scratch. Fortunately, a growing number of investigators is dedicating their time and effort to the development of user friendly, online applications that allow researchers to use and investigate these datasets. Here, we will illustrate the usefulness of such an approach. Using regulation of Wnt7b expression as an example, we will highlight a selection of accessible tools and resources that are available to researchers in the area of mammary gland biology. We show how they can be used for in silico analyses of gene regulatory mechanisms, resulting in new hypotheses and providing leads for experimental follow up. We also call out to the mammary gland community to join forces in a coordinated effort to generate and share additional tissue-specific ‘-omics’ datasets and thereby expand the in silico toolbox.


1982 ◽  
Vol 15 ◽  
Author(s):  
W. S. Fyfe

ABSTRACTSelection of the best rock types for radwaste disposal will depend on their having minimal permeability, maximal flow dispersion, minimal chance of forming new wide aperture fractures, maximal ion retention, and minimal thermal and mining disturbance. While no rock is perfect, thinly bedded complex sedimentary sequences may have good properties, either as repository rocks, or as cover to a repository.Long time prediction of such favorable properties of a rock at a given site may be best modelled from studies of in situ rock properties. Fracture flow, dispersion history, and geological stability can be derived from direct observations of rocks themselves, and can provide the parameters needed for convincing demonstration of repository security for appropriate times.


2012 ◽  
Vol 105 ◽  
pp. 1-11 ◽  
Author(s):  
Y.W. Chiang ◽  
R.M. Santos ◽  
K. Ghyselbrecht ◽  
V. Cappuyns ◽  
J.A. Martens ◽  
...  

Ars Adriatica ◽  
2016 ◽  
pp. 103
Author(s):  
Barbara Španjol-Pandelo

Matteo Moronzon, a member of the Venetian family of woodcarvers, was mentioned for the first time in 1407 according to the present known archival documents. Probably after being trained in his father's workshop in Venice, he moved to Zadar with his family – his wife Francisca and sons Pietro and Francesco. In 1418 he undertook the commission of furnishing carved choir stalls for the cathedral of St. Anastasia in Zadar. Various archival documents testify that Matteo lived and worked in Zadar for many years. Therefore it can be assumed that he probably founded his own workshop in Zadar where his son Francesco was trained too. Apart from the attempt to reconstruct Matteo's life and career, the aim of this paper is to interpret one important woodcarving work of art preserved in situ: choir stalls in the former cathedral of Rab, today the arch parish church of the Assumption of the Blessed Virgin Mary in Rab. Without doubt Matteo was the master carver in the production of the choir stalls in Zadar. Since he lived in Zadar it was not unusual that he had the main role in carving the stalls. In Zadar the selection of motives is more balanced and there are no significant differences in the modelling of decorative elements. However, the question whether Matteo carved absolutely everything or he had assistants arises. Considering the amount of work that had to be done it must be assumed that he had assistants who participated in work and helped him to shape the stalls. However, in literature Matteo was considered the only and undisputed author of the choir stalls in Zadar, mostly because of the preserved document. The analysis of the choir stalls in Rab by Ivo Petricioli as well as their evident formal and stylistic similarities with the stalls from the cathedral in Zadar have led to the general acceptance of the hypothesis that they were carved at the workshop of Matteo Moronzon. However, a comprehensive comparative analysis that could confirm that hypothesis was still missing. The analysis of the details and the whole led to the overall conclusion that there were a huge number of similarities between the choir stalls in Rab and Zadar. Therefore it was concluded that Matteo was the principal designer of the choir stalls in Rab who also carved the best parts in Rab, while others, less successful parts, were made by his apprentices and assistants who at the time lived on the island of Rab. In this respect, if Matteo was accepted as the author of the choir stalls of the cathedral in Zadar he must also be accepted as the author of the choir stalls from the excathedral in Rab.


2015 ◽  
Author(s):  
Stefano Acunto ◽  
Luigi Piazzi ◽  
Francesco L. Cinelli ◽  
Anna Maria De Biasi ◽  
Lorenzo Pacciardi ◽  
...  

Transplantation of seagrasses is considered a useful method to favour the recovery of degraded meadows. Hence, many projects have been carried out worldwide and a manifold of techniques have been applied. However, the choice of transplantation procedures remains a main problem to be assessed. In order to optimize efforts and to minimize risks of plants loss, the applied methodologies should take into account typology of hosting substratum, hydrodynamic conditions, depth and seagrass species. Due to their fundamental ecological role in the Mediterranean coastal system, many restoration projects aiming to preserve Posidonia oceanica meadows took place in the last decades. Several transplantation techniques have produced different results. In fact the same transplanting methodology may originate diverse results under different environmental conditions. Recently, naturalistic engineering techniques developed on land, have been used for transplantations of P. oceanica. Pilot projects concerning small surfaces were carried out between 2006 and 2010. More recently, a large-scale program (0.1 km2) was realized in 2012 at Civitavecchia (Roma, Thyrrenian Sea). The applied technique consists basically of mattresses filled with sand coupled with a net covering able to hold steady in situ the plant rhizomes. These structures have been variously modified in time to be adapted to the different type of substratum and various hydrodynamic conditions of the transplanting sites. Following the results of these transplantation experiences, we analyzed pros and cons of the techniques in order to improve the methodology. Firstly, these techniques may be considered suitable to large-scale projects allowing to minimize transplantation times. Secondly, the rhizomes may be successfully fixed to the structures; the majority of the transplanted shoots was not damaged showing a very good vegetative vitality with the production of new rhizomes, leaves and roots few months after transplanting. Finally, this procedure is flexible, as the basic technique can be modified and tailored to the various environmental conditions of the different receiving site. However, the results obtained in different areas are highly heterogeneous suggesting that a careful selection of the hosting site is a focal point. To this aim, a pilot study before the beginning of large-scale project seems mandatory, providing a fundamental support to guarantee successful results.


2017 ◽  
Vol 16 (4) ◽  
pp. 289-297
Author(s):  
D. Yu. Snezgkov ◽  
S. N. Leonovich

The existing non-destructive testing system of structure concrete is actually orientated on the usage of longitudinal acoustical waves. This is due to simplicity of technical realization for measuring velocity (time) of acoustical pulse propagation in bulk concrete. But a reverse side of simple measuring procedure is a loss of additional information on concrete which is contained in the accepted acoustical signal. Therefore usage of an ultrasonic concrete testing method is limited by assessment of its strength. Joint usage of several wave types, so-called multi-wave testing, allows to refine metrology parameters of the ultrasonic method and to gain more information while determining physical and mechanical properties of concrete in laboratory and in situ conditions. The paper considers testing of elongated concrete elements and structures by an ultrasonic pulsing method on the basis of longitudinal subsurface and Rayleigh waves. It has been proposed to use methodology for time selection of wave components according to amplitude parameter and it has been applied for standard acoustical transformers with considerable reverberation time and not possessing spatial selectivity Basic principle of the proposed methodology is visual (according to oscillogram of the received signal) determination of characteristic time moments which are used for calculation of differential value of a propagation velocity in the Rayleigh wave impulse. The paper presents results pertaining to simulation of acoustical pulse propagation on the basis of 0.15 m and data of concrete ultrasonic in situ testing on measuring bases from 0.25 to 1.75 m. Advantage of large baseline for sonic test is a possibility for execution of a hundred percent inspection for surface of large-sized elements and structures, and so there is no need to make a selective inspection in some control areas as it is stipulated by provided by existing regulations. Responsivity of the Rayleigh wave parameters to near surface concrete defects permits quickly and efficiently to detect crack areas in a reinforced structure. Energy localization of a surface wave in a layer having width λ/2–λ provides a possibility to ignore reinforcement availability under appropriate selection of oscillation frequency. In addition to this, large measuring baseline makes it possible to lower effect of concrete structural inhomogeneity on statistical stability for pulse velocity assessment that ultimately reveals a possibility to register an appearance of concrete acoustical elasticity effect under in situ conditions.


1995 ◽  
Vol 9 (3) ◽  
pp. 255-269 ◽  
Author(s):  
G.H. Bowden

Models of the caries process have made significant contributions toward defining the roles of bacteria in caries. Microbiologists use a variety of in vitro systems to model aspects of the caries process. Also, in situ models in humans provide information on the microbiology of caries in vivo. These models do not involve the entire process leading to natural caries; consequently, the results from such studies are used to deduce the roles of bacteria in natural caries. Therefore, they can be described as Inferential Caries Models. In contrast, animal models and some clinical trials in humans involve natural caries and can be described as Complete Caries Models. Furthermore, these models are used in two distinct ways. They can be used as Exploratory Models to explore different aspects of the caries process, or as Test Models to determine the effects of anticaries agents. This dichotomy in approach to the use of caries models results in modification of the models to suit a particular role. For example, if we consider Exploratory Models, the in situ appliance in humans is superior to others for analyzing the microbiology of plaque development and demineralization in vivo. The chemostat and biofilm models are excellent for exploring factors influencing bacterial interactions. Both models can also be used as Test Models. The in situ model has been used to test the effects of fluoride on the microflora and demineralization, while the chemostat and biofilm models allow for the testing of antibacterial agents. Each model has its advantages and disadvantages and role in analysis of the caries process. Selection of the model depends on the scientific question posed and the limitations imposed by the conditions available for the study.


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