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Accurate description of ion migration in solid-state ion conductors from machine-learning molecular dynamics

J. Mater. Chem. A, 2024, Advance Article
DOI: 10.1039/D4TA00452C, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Takeru Miyagawa, Namita Krishnan, Manuel Grumet, Christian Reverón Baecker, Waldemar Kaiser, David A. Egger
Machine-learning molecular dynamics provides predictions of structural and anharmonic vibrational properties of solid-state ionic conductors with ab initio accuracy. This opens a path towards rapid design of novel battery materials.
To cite this article before page numbers are assigned, use the DOI form of citation above.
The content of this RSS Feed (c) The Royal Society of Chemistry




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Description of five Devonian sections (Hume River, Gayna River Gorge, Powell Creek tributary, Powell Creek, and Prohibition Creek) from the northern front of the Mackenzie Mountains and the Franklin Mountains (Northwest Territories, Canada)

Gouwy, S A; Pedder, A E H; Uyeno, T T; MacKenzie, W S. Geological Survey of Canada, Open File 8802, 2021, 50 pages, https://doi.org/10.4095/328354
<a href="https://geoscan.nrcan.gc.ca/images/geoscan/gid_328354.jpg"><img src="https://geoscan.nrcan.gc.ca/images/geoscan/gid_328354.jpg" title="Geological Survey of Canada, Open File 8802, 2021, 50 pages, https://doi.org/10.4095/328354" height="150" border="1" /></a>




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RSS Feed Field Descriptions

Description of what can be contained in various RSS feed fields.

RSS Feed Field Descriptions




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Steal These Free Call Center Job Description Templates

Recruiting and hiring call center employees can be a pain, but it doesn’t have to be so bad. For example, depending on the roles you’re looking to hire, you may not even have to write a job description—because you can just use ours instead.  Below, we’ve put together four of […]

The post Steal These Free Call Center Job Description Templates appeared first on .




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Descriptional Complexity of Ambiguity in Symmetric Difference NFAs

We investigate ambiguity for symmetric difference nondeterministic finite automata. We show the existence of unambiguous, finitely ambiguous, polynomially ambiguous and exponentially ambiguous symmetric difference nondeterministic finite automata. We show that, for each of these classes, there is a family of n-state nondeterministic finite automata such that the smallest equivalent deterministic finite automata have O(2n) states.




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A Ranking Tool Exploiting Semantic Descriptions for the Comparison of EQF-based Qualifications

Nowadays, one of the main issues discussed at the Community level is represented by the mobility of students and workers across Europe. During the last years, in order to deal with the above picture, several initiatives have been carried out: one of them is the definition of the European Qualification Framework (EQF), a common architecture for the description of qualifications. At the same time, several research activities were established with the aim of finding how semantic technologies could be exploited for qualifications comparison in the field of human resources acquisition. In this paper, the EQF specifications are taken into account and they are applied in a practical scenario to develop a ranking algorithm for the comparison of qualifications expressed in terms of knowledge, skill and competence concepts, potentially aimed at supporting European employers during the recruiting phase.




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Transition to First Year University Study: A Qualitative Descriptive Study on the Psychosocial and Emotional Impacts of a Science Workshop

Aim/purpose The purpose of this article is to discuss the psychosocial and emotional outcomes of an introductory health science workshop designed to support and assist incoming health science students before starting their university study.   Background For the past two decades, a South Australian university offered an on-campus face to face workshop titled ‘Preparation for Health Sciences’ to incoming first-year students from eleven allied health programs such as Nursing, Physiotherapy and Medical Imaging. While many were locals, a good number came from regional and rural areas, and many were international students also. They consisted of both on-campus and off-campus students.   The workshop was created as a new learning environment that was available for students of diverse age groups, educational and cultural backgrounds to prepare them to study sciences. The content of the four-day workshop was developed in consultation with the program directors of the allied health programs. The objectives were to: introduce the assumed foundational science knowledge to undertake health sciences degree; gain confidence in approaching science subjects; experience lectures and laboratory activities; and become familiar with the University campus and its facilities. The workshop was delivered a week before the orientation week, before first-year formal teaching weeks. The topics covered were enhancing study skills, medical and anatomical terminology, body systems, basic chemistry and physics, laboratory activities, and assessment of learning.   Methodology In order to determine the outcomes of the workshop, a survey was used requiring participants to agree or disagree about statements concerning the preparatory course and answer open-ended questions relating to the most important information learned and the best aspects of the workshop. Several students piloted this questionnaire before use in order to ascertain the clarity of instructions, terminology and statements. The result of the 2015-2018 pre- and post-evaluation showed that the workshop raised confidence and enthusiasm in commencing university and that the majority considered the workshop useful overall. The findings of the survey are drawn upon to examine the psychosocial and emotional impacts of the workshop on participants. Using secondary qualitative analysis, the researchers identified the themes relating to the psychosocial and emotional issues conveyed by the participants.   Contribution The contributions of the article are in the areas of improving students’ confidence to complete their university degrees and increasing the likelihood of academic success. Findings Of the 285 students who participated in the workshops from 2015 to 2018, 166 completed the survey conducted at the conclusion of the initiative, representing a 58% response rate. The workshops achieved the objectives outlined at the outset. While there were many findings reported (Thalluri, 2016), the results highlighted in this paper relate to the psychosocial and emotional impacts of the workshop on students. Three themes emerged, and these were Increased preparedness and confidence; Networking and friendships that enhanced support, and Reduced anxiety to study sciences. Some drawbacks were also reported including the cost, time and travel involved. Recommendations for practitioners Students found the introductory workshop to be psychosocially and emotionally beneficial. It is recommended that the same approach be applied for teaching other challenging fields such as mathematics and physics within the university and in other contexts and institutions. Recommendations for researchers Improving and extending the workshop to provide greater accessibility and autonomy is recommended. A longitudinal study to follow up the durability of the workshop is also proposed. Impact on society The impacts in the broader community include: higher academic success for students; improved mental health due to social networking and friendship groups and reduced anxiety and fear; reduced dropout rate in their first year; greater potential to complete educational degrees; reduced wastage in human and financial resources; and increased human capital. Future research Addressing the limitations of cost, time and travel involved, and following-up with the participants’ academic and workplace performance are future directions for research.




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A Qualitative Descriptive Analysis of Collaboration Technology in the Navy

Collaboration technologies enable people to communicate and use information to make organizational decisions. The United States Navy refers to this concept as information dominance. Various collaboration technologies are used by the Navy to achieve this mission. This qualitative descriptive study objectively examined how a matrix oriented Navy activity perceived an implemented collaboration technology. These insights were used to determine whether a specific collaboration technology achieved a mission of information dominance. The study used six collaboration themes as a foundation to include: (a) Cultural intelligence, (b) Communication, (c) Capability, (d) Coordination, (e) Cooperation, and (f) Convergence. It was concluded that collaboration technology was mostly perceived well and helped to achieve some levels of information dominance. Collaboration technology improvement areas included bringing greater awareness to the collaboration technology, revamping the look and feel of the user interface, centrally paying for user and storage fees, incorporating more process management tools, strategically considering a Continuity of Operations, and incorporating additional industry best practices for data structures. Emerging themes of collaboration were collected to examine common patterns identified in the collected data. Emerging themes included acceptance, awareness, search, scope, content, value, tools, system performance, implementation, training, support, usage, structure, complexity, approach, governance/configuration management/policy, and resourcing.




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Learning Object Systems and Strategy: A Description and Discussion




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HTML Tags as Extraction Cues for Web Page Description Construction




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Despatch from the field: New species discovery, description and data sharing in less than 30 days

Researchers and the public can now have immediate access to data underlying discovery of new species of life on Earth, under a new streamlined system linking taxonomic research with open data publication.

The partnership paves the way for unlocking and preserving a wealth of 'small data' backing up research conclusions, which often become lost within a few years of an article's publication in an academic journal.

In the first example of the new collaboration in action, the Biodiversity Data Journal carries a peer-reviewed description of a new species of spider discovered during a field course in Borneo just one month ago. At the same time, the data showing location of the spider's occurrence in nature are automatically harvested by the Global Biodiversity Information Facility (GBIF), and richer data such as images and the species description are exported to the Encyclopedia of Life (EOL).

This contrasts with an average 'shelf life' of twenty-one years between field discovery of a new species and its formal description and naming, according to a recent study in Current Biology.

A group of scientists and students discovered the new species of spider during a field course in Borneo, supervised by Jeremy Miller and Menno Schilthuizen from the Naturalis Biodiversity Center, based in Leiden, the Netherlands. The species was described and submitted online from the field to the Biodiversity Data Journal through a satellite internet connection, along with the underlying data . The manuscript was peer-reviewed and published within two weeks of submission. On the day of publication, GBIF and EOL have harvested and included the data in their respective platforms.

The new workflow established between GBIF, EOL and Pensoft Publishers' Biodiversity Data Journal, with the support of the Swiss NGO Plazi, automatically exports treatment and occurrence data into a Darwin Core Archive, a standard format used by GBIF and other networks to share data from many different sources. This means GBIF can extract these data on the day of the article's publication, making them immediately available to science and the public through its portal and web services, further enriching the biodiversity data already freely accessible through the GBIF network. Similarly, the information and multimedia resources become accessible via EOL's species pages.

One of the main purposes of the partnership is to ensure that such data remain accessible for future use in research. A recent study published in Current Biology found that 80 % of scientific data are lost in less than 10 years following their creation.

Donald Hobern, GBIF's Executive Secretary, commented: "A great volume of extremely important information about the world's species is effectively inaccessible, scattered across thousands of small datasets carefully curated by taxonomic researchers. I find it very exciting that this new workflow will help preserve these 'small data' and make them immediately available for re-use through our networks."

"Re-use of data published on paper or in PDF format is a huge challenge in all branches of science", said Prof. Lyubomir Penev, managing director of Pensoft and founder of the Biodiversity Data Journal. "This problem has been tackled firstly by our partners from Plazi who created a workflow to extract data from legacy literature and submit it to GBIF. The workflow currently launched by GBIF, EOL and the Biodiversity Data Journal radically shortens the way from publication of data to their sharing and re-use and makes the whole process cost efficient", added Prof. Penev.

The elaboration of the workflow from BDJ and Plazi to GBIF through Darwin Core Archive was supported by the EU-funded project EU BON (Building the European Biodiversity Observation Network, grant No 308454). The basic concept has been initially discussed and outlined in the course of the pro-iBiosphere project (Coordination and policy development in preparation for a European Open Biodiversity Knowledge Management System, addressing Acquisition, Curation, Synthesis, Interoperability and Dissemination, grant No 312848).

Original source:

Miller J, Schilthuizen M, Burmester J, van der Graaf L, Merckx V, Jocqué M, Kessler P, Fayle T, Breeschoten T, Broeren R, Bouman R, Chua W, Feijen F, Fermont T, Groen K, Groen M, Kil N, de Laat H, Moerland M, Moncoquet C, Panjang E, Philip A, Roca-Eriksen R, Rooduijn B, van Santen M, Swakman V, Evans M, Evans L, Love K, Joscelyne S, Tober A, Wilson H, Ambu L, Goossens B (2014) Dispatch from the field: ecology of micro web-building spiders with description of a new species. Biodiversity Data Journal 2: e1076. DOI: 10.3897/BDJ.2.e1076





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Revised respirator descriptions for pesticide labels: EPA seeks comment on draft

Washington — The Environmental Protection Agency has released a draft of its revised respirator descriptions for pesticide labels and is seeking public comment.




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Toward a quantitative description of solvation structure: a framework for differential solution scattering measurements

Appreciating that the role of the solute–solvent and other outer-sphere interactions is essential for understanding chemistry and chemical dynamics in solution, experimental approaches are needed to address the structural consequences of these interactions, complementing condensed-matter simulations and coarse-grained theories. High-energy X-ray scattering (HEXS) combined with pair distribution function analysis presents the opportunity to probe these structures directly and to develop quantitative, atomistic models of molecular systems in situ in the solution phase. However, at concentrations relevant to solution-phase chemistry, the total scattering signal is dominated by the bulk solvent, prompting researchers to adopt a differential approach to eliminate this unwanted background. Though similar approaches are well established in quantitative structural studies of macromolecules in solution by small- and wide-angle X-ray scattering (SAXS/WAXS), analogous studies in the HEXS regime—where sub-ångström spatial resolution is achieved—remain underdeveloped, in part due to the lack of a rigorous theoretical description of the experiment. To address this, herein we develop a framework for differential solution scattering experiments conducted at high energies, which includes concepts of the solvent-excluded volume introduced to describe SAXS/WAXS data, as well as concepts from the time-resolved X-ray scattering community. Our theory is supported by numerical simulations and experiment and paves the way for establishing quantitative methods to determine the atomic structures of small molecules in solution with resolution approaching that of crystallography.




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Robust image descriptor for machine learning based data reduction in serial crystallography

Serial crystallography experiments at synchrotron and X-ray free-electron laser (XFEL) sources are producing crystallographic data sets of ever-increasing volume. While these experiments have large data sets and high-frame-rate detectors (around 3520 frames per second), only a small percentage of the data are useful for downstream analysis. Thus, an efficient and real-time data classification pipeline is essential to differentiate reliably between useful and non-useful images, typically known as `hit' and `miss', respectively, and keep only hit images on disk for further analysis such as peak finding and indexing. While feature-point extraction is a key component of modern approaches to image classification, existing approaches require computationally expensive patch preprocessing to handle perspective distortion. This paper proposes a pipeline to categorize the data, consisting of a real-time feature extraction algorithm called modified and parallelized FAST (MP-FAST), an image descriptor and a machine learning classifier. For parallelizing the primary operations of the proposed pipeline, central processing units, graphics processing units and field-programmable gate arrays are implemented and their performances compared. Finally, MP-FAST-based image classification is evaluated using a multi-layer perceptron on various data sets, including both synthetic and experimental data. This approach demonstrates superior performance compared with other feature extractors and classifiers.




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2023 Audio Description Project Award Winners

The American Council of the Blind announces the 2023 Audio Description Project Award Winners




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2024-25 High School Course Description Guide

The following is a link to the high school course description guide for 2024-25. It contains all of the classes and graduation requirements for high school students. Students should see their high school counselor with any questions regarding graduation requirements. Click here to access the Google document of the high school course description guide for […]

The post 2024-25 High School Course Description Guide appeared first on Forest Hills Public Schools.



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  • Eastern High News
  • Northern High News

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Coach's Corner: How Do Your Job Descriptions Stack Up? | Team Building Pt. 8

When was the last time you took a good, close look at job descriptions for the various positions in your company? Art and Dan continue their awesome series on hiring, onboarding, and creating a well-rounded team within your restoration company.




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AssessmentPsychology.com - Psychological Assessment and Testing <SPAN class=MapErrors>No Description</SPAN>




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[ B.17 (11/88) ] - Adoption of the CCITT Specification and Description Language (SDL)

Adoption of the CCITT Specification and Description Language (SDL)




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XSTP.INNO - Description of the incubation mechanism and ways to improve it

XSTP.INNO - Description of the incubation mechanism and ways to improve it




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TP.inno - Description of the incubation mechanism and ways to improve it

TP.inno - Description of the incubation mechanism and ways to improve it




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[ F.743 (11/19) ] - Requirements and service description for video surveillance

Requirements and service description for video surveillance




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[ Z.Imp100 (04/21) ] - Specification and Description Language implementer's guide - Version 4.0.1

Specification and Description Language implementer's guide - Version 4.0.1




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[ Z.100 Annex F3 (10/19) ] - Specification and Description Language - Overview of SDL-2010 - SDL-2010 formal definition: Dynamic semantics

Specification and Description Language - Overview of SDL-2010 - SDL-2010 formal definition: Dynamic semantics




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[ Z.100 Annex F2 (10/19) ] - Specification and Description Language - Overview of SDL-2010 - SDL-2010 formal definition: Static semantics

Specification and Description Language - Overview of SDL-2010 - SDL-2010 formal definition: Static semantics




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[ Z.104 (10/19) ] - Specification and Description Language - Data and action language in SDL-2010

Specification and Description Language - Data and action language in SDL-2010




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[ Z.103 (10/19) ] - Specification and Description Language - Shorthand notation and annotation in SDL-2010

Specification and Description Language - Shorthand notation and annotation in SDL-2010




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[ Z.102 (10/19) ] - Specification and Description Language - Comprehensive SDL-2010

Specification and Description Language - Comprehensive SDL-2010




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[ Z.101 (10/19) ] - Specification and Description Language - Basic SDL-2010

Specification and Description Language - Basic SDL-2010




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[ Z.107 (10/19) ] - Specification and Description Language - Object-oriented data in SDL-2010

Specification and Description Language - Object-oriented data in SDL-2010




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[ Z.106 (10/19) ] - Specification and Description Language - Common interchange format for SDL-2010

Specification and Description Language - Common interchange format for SDL-2010




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[ Z.105 (10/19) ] - Specification and Description Language - SDL-2010 combined with ASN.1 modules

Specification and Description Language - SDL-2010 combined with ASN.1 modules




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[ Z.101 (06/21) ] - Specification and Description Language - Basic SDL-2010

Specification and Description Language - Basic SDL-2010




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[ Z.104 (06/21) ] - Specification and Description Language - Data and action language in SDL-2010

Specification and Description Language - Data and action language in SDL-2010




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[ Z.103 (06/21) ] - Specification and Description Language - Shorthand notation and annotation in SDL-2010

Specification and Description Language - Shorthand notation and annotation in SDL-2010




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[ Z.102 (06/21) ] - Specification and Description Language - Comprehensive SDL-2010

Specification and Description Language - Comprehensive SDL-2010




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[ Z.100 (06/21) ] - Specification and Description Language - Overview of SDL-2010

Specification and Description Language - Overview of SDL-2010




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[ Z.107 (06/21) ] - Specification and Description Language - Object-oriented data in SDL-2010

Specification and Description Language - Object-oriented data in SDL-2010




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[ Z.106 (06/21) ] - Specification and Description Language - Common interchange format for SDL-2010

Specification and Description Language - Common interchange format for SDL-2010




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[ Z.105 (06/21) ] - Specification and Description Language - SDL-2010 combined with ASN.1 modules

Specification and Description Language - SDL-2010 combined with ASN.1 modules




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[ Z.100 Annex F3 (06/21) ] - Specification and Description Language - Overview of SDL-2010 - SDL formal definition: Dynamic semantics

Specification and Description Language - Overview of SDL-2010 - SDL formal definition: Dynamic semantics




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[ Z.100 Annex F2 (06/21) ] - Specification and Description Language - Overview of SDL-2010 - SDL formal definition: Static semantics

Specification and Description Language - Overview of SDL-2010 - SDL formal definition: Static semantics




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[ Q.731.6 (04/19) ] - Stage 3 description for number identification supplementary services using Signalling System No. 7 : Stage 3 description for number identification supplementary services using Signalling System no.7 - Connected line identification re

Stage 3 description for number identification supplementary services using Signalling System No. 7 : Stage 3 description for number identification supplementary services using Signalling System no.7 - Connected line identification restriction




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[ Q.731.5 (04/19) ] - Stage 3 description for number identification supplementary services using Signalling System No. 7 : Stage 3 description for number identification supplementary services using Signalling System No.7 - Connected line identification pr

Stage 3 description for number identification supplementary services using Signalling System No. 7 : Stage 3 description for number identification supplementary services using Signalling System No.7 - Connected line identification presentation




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[ Q.731.4 (04/19) ] - Stage 3 description for number identification supplementary services using Signalling System No. 7 : Stage 3 description for number identification supplementary services using Signalling System No.7 - Calling line identification rest

Stage 3 description for number identification supplementary services using Signalling System No. 7 : Stage 3 description for number identification supplementary services using Signalling System No.7 - Calling line identification restriction




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[ Q.731.3 (04/19) ] - Stage 3 description for number identification supplementary services using Signalling System No. 7 : Stage 3 description for number identification supplementary services using Signalling System No.7 - Calling line identification pres

Stage 3 description for number identification supplementary services using Signalling System No. 7 : Stage 3 description for number identification supplementary services using Signalling System No.7 - Calling line identification presentation




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[ Q.761 (12/99) ] - Signalling System No. 7 - ISDN User Part functional description

Signalling System No. 7 - ISDN User Part functional description




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Why Roofing Contractors Should Write Job Descriptions

Job descriptions go well beyond helping you hire the right person. They can help with evaluation, overtime, and safety expectations.





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Fundamentals of Descriptive Statistics

Descriptive statistics (DS) play a crucial role in establishing a solid foundation for study analysis and are important for understanding the results of a study or data set. If the data from DS is used incorrectly, the study may be misinterpreted. Descriptive statistics summarizes and organizes data, making analysis easier and providing an overview of the characteristics of sampled data. This analysis is comprised of measures of central tendency, which includes the mean, median, and mode of a particular data set. Understanding how to use each metric is essential for basic statistical analysis. The purpose of this short report is to review descriptive statistics and describe how to best utilize them during data analysis. The authors aim to provide this short report as an educational resource to assist the dental hygiene research community in understanding statistical analysis through descriptive statistics.