An R Library for Compositional Data Analysis in Archaeometry

Compositional data naturally arises from the scientific analysis of the chemical composition of archaeological material such as ceramic and glass artefacts. Data of this type can be explored using a variety of techniques, from standard multivariate methods such as principal components analysis and cluster analysis, to methods based upon the use of log-ratios. The general aim is to identify groups of chemically similar artefacts that could potentially be used to answer questions of provenance. This paper will demonstrate work in progress on the development of a documented library of methods, implemented using the statistical package R, for the analysis of compositional data. R is an open source package that makes available very powerful statistical facilities at no cost. We aim to show how, with the aid of statistical software such as R, traditional exploratory multivariate analysis can easily be used alongside, or in combination with, specialist techniques of compositional data analysis. The library has been developed from a core of basic R functionality, together with purpose-written routines arising from our own research (for example that reported at CoDaWork'03). In addition, we have included other appropriate publicly available techniques and libraries that have been implemented in R by other authors. Available functions range from standard multivariate techniques through to various approaches to log-ratio analysis and zero replacement. We also discuss and demonstrate a small selection of relatively new techniques that have hitherto been little-used in archaeometric applications involving compositional data. The application of the library to the analysis of data arising in archaeometry will be demonstrated; results from different analyses will be compared; and the utility of the various methods discussed

Quantifying rock fabrics: a test of autocorrelation of the spatial distribution of cristals

A novel test of spatial independence of the distribution of crystals or phases in rocks based on compositional statistics is introduced. It improves and generalizes the common joins-count statistics known from map analysis in geographic information systems. Assigning phases independently to objects in RD is modelled by a single-trial multinomial random function Z(x), where the probabilities of phases add to one and are explicitly modelled as compositions in the K-part simplex SK. Thus, apparent inconsistencies of the tests based on the conventional joins{count statistics and their possibly contradictory interpretations are avoided. In practical applications we assume that the probabilities of phases do not depend on the location but are identical everywhere in the domain of de nition. Thus, the model involves the sum of r independent identical multinomial distributed 1-trial random variables which is an r-trial multinomial distributed random variable. The probabilities of the distribution of the r counts can be considered as a composition in the Q-part simplex SQ. They span the so called Hardy-Weinberg manifold H that is proved to be a K-1-affine subspace of SQ. This is a generalisation of the well-known Hardy-Weinberg law of genetics. If the assignment of phases accounts for some kind of spatial dependence, then the r-trial probabilities do not remain on H. This suggests the use of the Aitchison distance between observed probabilities to H to test dependence. Moreover, when there is a spatial uctuation of the multinomial probabilities, the observed r-trial probabilities move on H. This shift can be used as to check for these uctuations. A practical procedure and an algorithm to perform the test have been developed. Some cases applied to simulated and real data are presented. Key words: Spatial distribution of crystals in rocks, spatial distribution of phases, joins-count statistics, multinomial distribution, Hardy-Weinberg law, Hardy-Weinberg manifold, Aitchison geometry

The mapping of the local contributions of Fermi and Coulomb correlation into intracule and extracule density distributions

The contributions of the correlated and uncorrelated components of the electron-pair density to atomic and molecular intracule I(r) and extracule E(R) densities and its Laplacian functions ∇2I(r) and ∇2E(R) are analyzed at the Hartree-Fock (HF) and configuration interaction (CI) levels of theory. The topologies of the uncorrelated components of these functions can be rationalized in terms of the corresponding one-electron densities. In contrast, by analyzing the correlated components of I(r) and E(R), namely, IC(r) and EC(R), the effect of electron Fermi and Coulomb correlation can be assessed at the HF and CI levels of theory. Moreover, the contribution of Coulomb correlation can be isolated by means of difference maps between IC(r) and EC(R) distributions calculated at the two levels of theory. As application examples, the He, Ne, and Ar atomic series, the C2-2, N2, O2+2 molecular series, and the C2H4 molecule have been investigated. For these atoms and molecules, it is found that Fermi correlation accounts for the main characteristics of IC(r) and EC(R), with Coulomb correlation increasing slightly the locality of these functions at the CI level of theory. Furthermore, IC(r), EC(R), and the associated Laplacian functions, reveal the short-ranged nature and high isotropy of Fermi and Coulomb correlation in atoms and molecules

Is Microtox R toxicity related to potentially harmful algae proliferation in Mediterranean salt marshes?

Mediterranean salt marshes are ecosystems that are highly influenced by sea changes and freshwater inputs from runoff. In these ecosystems, toxic and non-toxic algae blooms often produce large and unpredictable biomasses of phytoplankton. The Microtox R test has been described as a successful, quick method for detecting toxicity in various phytoplankton taxa. Ourstudy sought to test the efficiency of Microtox R in detecting toxic HAB in Mediterranean salt marshes. The results showed that the Microtox R test was able to detect toxic substances in the particulate matter of several lagoons in the Empordà salt marshes. This Microtox R toxicity coincided with periods when potentially harmful cyanobacteria, dinoflagellates and haptophytes had a high biomass. The results suggest that potentially harmful phytoplankton cannot be ruled out as a source of Microtox R

L'anarquisme individualista a Espanya 1923-1938

La present tesi doctoral té com a objectiu delimitar, descriure i analitzar el discurs ideològic, en clau interna, de l'anarquisme individualista, una de les tendències minoritàries i més mal conegudes de l'anarquisme a Espanya entre 1923 i 1938. A la part preliminar de la investigació es tracta d'acotar les bases epistemològiques del subjecte d'investigació. I en aquest sentit, es realitza un esforç per tractar d'arribar a una definició sobre l'anarquisme individualista. També s'analitzen els antecedents historiogràfics, es duu a terme un estat historiogràfic de la qüestió i s'exposen els criteris metodològics emprats. La primera part de la investigació tracta d'analitzar, en capítols successius, els fonaments teòrics de l'individualisme anarquista, ressegueix i descriu els processos de penetració a l'estat espanyol i exposa i analitza la trajectòria de les principals vies de debat i difusió a l'entorn de la teoria individualsta. En el primer cas, l'autor es remunta als orígens ideològics, fonamentats en l'obra fundacional de L'Ego i la seva propietat, del filòsof bavarès Max Stirner. Posteriorment es comenta el substrat filosòfic individualista de procedència nord-americana, amb autors com Henry David Thoreau, Josiah Warren o Benjamin Tucker i es destaca la influència de l'individualisme d'arrel francesa, de finals de segle XIX, amb el rol jugat per anarcoindividualistes com Émile Armand o Han Ryner. En el següent capítol s'exposa l'absència d'un individualisme espanyol autòcton i la dependència ideològica dels corrents foranis, en especial del francès, donats els estrets contactes a banda i banda del Pirineu. També es planteja la qüestió de la diferent intensitat de la presència d'individualisme entre diferents sectors pertanyents al complex univers individualista. També es realitza una descripció de la trajectòria cronològica d'aquest corrent, remuntant-se des de finals del segle XIX, amb la irrupció de la filosofia de Nietzsche, fins a l'acabament de la guerra civil espanyola. El quart capítol enumera els diferents òrgans de propaganda des del qual s'expressa aquest pensament i es descriu breument les tendències individualistes de cadascun d'ells. La segona part de la investigació analitza, en clau interna, el pensament individualista, a partir del seu material imprès i publicat. Així es descriuen els principis generals, els intens associacionistes, o es comenta el paper dels individualisme al llarg de la guerra civil. Posteriorment es comenten aspectes més concrets, com ara la filosofia educativa del moviment, la extraordinària importància que té la qüestió de l'amor lliure i l'emancipació sexual per als seus seguidors, i altres aspectes complementaris que tindran una extraordinària presència i importància en l'anarquisme individualista com serà l'annacionalisme, l'antimilitarisme i el naturisme. Es conclou la tesi destacant les aportacions al panorama historiogràfic i a l'esforç realitzat pel seu autor per recuperar la memòria col·lectiva.