About systematic errors in charge-density studies
نویسندگان
چکیده
منابع مشابه
More about systematic errors in charge-density studies.
In order to detect and graphically visualize the absence or presence of systematic errors in fit data, conditional probabilities are employed to analyze the statistical independence or dependence of fit residuals. This concept is completely general and applicable to all scientific fields in which model parameters are fitted to experimental data. The applications presented in this work refer to ...
متن کاملTwo Common Sources of Systematic Errors in Charge Density Studies
Resolution independent residuals ) ( / ) ( o c o I I I σ ς − = should not show any discontinuities, when plotted against the resolution . The density of reflections per resolution range, however, changes with resolution, which limits the information value from these plots. Residuals plotted against ranked resolution values, should be uniform and are easy to interpret. These plots of individual ...
متن کاملLearning About Software Errors Via Systematic Experimentation
Classical planners assume that their internal model is both correct and complete. The dynamic nature of realworld domains (e.g., multi-user software environments) makes these assumptions untenable. Several new planners (e.g.,XII [2]) have been designed to work with incomplete information, and strides have been made in planning with potentially incorrect information. But, efficient operation in ...
متن کاملMedical errors in Iranian hospitals: systematic review
Background: Medical errors are those errors or mistakes committed by healthcare professionals due to errors of omission, errors in planning, and errors of execution of a planned healthcare action whether or not it is harmful to the patient. Medical error in hospitals increases morbidity and mortality and decreases patient satisfaction and hospital productivity. This study aimed to determine the...
متن کاملSystematic experimental charge density analysis of anion receptor complexes.
The first systematic electronic resolution study of a series of urea-based anion receptor complexes is presented. The hydrogen bonding in these multi-component systems was fully characterised using Bader's Quantum Theory of Atoms In Molecules (QTAIM) with the strength of the various N-H···anion hydrogen bonds quantified and the individual contributions of different intermolecular forces to the ...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Acta Crystallographica Section A Foundations and Advances
سال: 2014
ISSN: 2053-2733
DOI: 10.1107/s2053273314000898