Goodness Of Match Research Articles

Prediction of Rubber Yield Based on Soil Water Content

Fluctuation of monthly rainfall resulted in fluctuation of monthly rubber yield. This study was aimed to determine a model to predict rubber yield based on soil water content. This study was conducted at Indonesian Rubber Research Institute, South Sumatera in May 2022. The plant materials used in this study were rubber clones PB 260 that were planted in 2001 in two blocks of rubber field. The soil texture in these two blocks was clay loam with good drainage conditions. The average of monthly soil water content and rubber yield data for 11 years from the first block was used to determine the model. Whereas the average of monthly soil water content and rubber yield data for 12 years from the second block was used to validate the model. The soil water content was generated by field water balance calculation. The regression and correlation analysis showed that the highest correlation and the most suitable model to predict rubber yield based on soil water content was the power model with formula Y = 0.0668X2.1423 (coefficient of determination (R2) = 0.80). Where, Y = rubber yield (kg/month) and X = soil water content (%). Furthermore, the validation of the model showed that the goodness of match (GOM), Pearson correlation coefficient (R), coefficient of determination (R2), and root mean square error (RMSE) were 0.94, 0.95, 0.90. and 10.3 respectively. These values showed that the model was accurate and strong enough to predict rubber yield based on soil water content.

DNA barcoding for molecular identification of Gynerium sagittatum (Poales: Poaceae): genetic diversity in savannah genotypes from Córdoba, Colombia

ABSTRACT. Introduction: The fiber of the Gynerium sagittatum Aubl. P. Beauv is raw material for the elaboration of several handcrafts, which are symbols of Colombian cultural identity. In the manufacture process, different genotypes are used according to the fiber quality and the type of craftsmanship, but it is believed that Gynerium is a complex species, and to date, there is no agreement on whether these genotypes belong to the same species or to different species. Objective: The aim of this study was to quickly and accurately identify wild cane plants using the nuclear ribosomal internal transcribed spacer (ITS1+ITS2), three chloroplast regions (matK, rbcL, ycf1), and their combinations. Methods: Different tests were used for discrimination: (1) inter and intraspecific distances, (2) Best Match (BM), Best Close Match (BCM), and tree-based method (3) Neighbor Joining (NJ) and (4) maximum likelihood and bayesian inference in molecular data. Results: The results showed that BM and BCM approaches revealed the low rate of correct species identification for ITS+matK (33.3 %) and ITS (28.6 %) loci, showing similarity among sequences. These results were further supported by tree-based analyses, where all individual regions and the different gene combinations had a zero discrimination rate. Conclusions: all genotypes belong to the same species of wild cane, therefore existing morphological differences can be related to phenotypic plasticity.

Mitochondrial DNA-Based Identification of Forensically Important Flesh Flies (Diptera: Sarcophagidae) in Thailand.

Flesh flies (Sarcophagidae) are necrophagous insects initially colonizing on a corpse. The species-specific developmental data of the flies collected from a death scene can be used to estimate the minimum postmortem interval (PMImin). Thus, the first crucial step is to correctly identify the fly species. Because of the high similarity among species of flesh flies, DNA-based identification is considered more favorable than morphology-based identification. In this study, we demonstrated the effectiveness of combined sequences (2216 to 2218 bp) of cytochrome c oxidase subunit I and II genes (COI and COII) for identification of the following 14 forensically important flesh fly species in Thailand: Boettcherisca nathani Lopes, Fengia ostindicae (Senior-White), Harpagophalla kempi (Senior-White), Liopygia ruficornis (Fabricius), Lioproctia pattoni (Senior-White), Lioproctia saprianovae (Pape & Bänziger), Parasarcophaga albiceps (Meigen), Parasarcophaga brevicornis (Ho), Parasarcophaga dux (Thomson), Parasarcophaga misera (Walker), Sarcorohdendorfia antilope (Böttcher), Sarcorohdendorfia inextricata (Walker), Sarcorohdendorfia seniorwhitei (Ho) and Seniorwhitea princeps (Wiedemann). Nucleotide variations of Thai flesh flies were evenly distributed throughout the COI-COII genes. Mean intra- and interspecific variations ranged from 0.00 to 0.96% and 5.22% to 12.31%, respectively. Using Best Match (BM) and Best Close Match (BCM) criteria, identification success for the combined genes was 100%, while the All Species Barcodes (ASB) criterion showed 76.74% success. Maximum Likelihood (ML) and Bayesian Inference (BI) phylogenetic analyses yielded similar tree topologies of monophyletic clades between species with very strong support values. The achieved sequences covering 14 forensically important flesh fly species including newly submitted sequences for B. nathani, F. ostindicae and S. seniorwhitei, can serve as a reliable reference database for further forensic entomological research in Thailand and in other areas where those species occur.

Development of a robust canopy height model derived from ALS point clouds for predicting individual crown attributes at the species level

ABSTRACTTree crown attributes are important parameters during the assessment and monitoring of forest ecosystems. Canopy height models (CHMs) derived from airborne laser scanning (ALS) data have proved to be a reliable source for extracting different biophysical characteristics of single trees and at stand level. However, ALS-derived tree measurements (e.g., mean crown diameter) can be negatively affected by pits that appear in the CHMs. Thus, we propose a novel method for generating pit-free CHMs from ALS point clouds for estimating crown attributes (i.e., area and mean diameter) at the species level. The method automatically calculates a threshold for a pixel based on the range of height values within neighbouring pixels; if the pixel falls below the threshold then it is recognized as a pitted pixel. The pit is then filled with the median of the values of the neighbouring pixels. Manually delineated individual tree crowns (ITC) of four deciduous and two coniferous species on Colour Infrared (CIR) stereo images were used as a reference in the analysis. In addition, a variety of different algorithms for constructing CHMs were compared to investigate the performance of different CHMs in similar forest conditions. Comparisons between the estimated and observed crown area (R2 = 0.95, RMSE% = 19.12% for all individuals) and mean diameter (R2 = 0.92, RMSE% = 12.16% for all individuals) revealed that ITC attributes were correctly estimated by segmentation of the pit-free CHM proposed in this study. The goodness of matching and geometry revealed that the delineated crowns correctly matched up to the reference data and had identical geometry in approximately 70% of cases. The results showed that the proposed method produced a CHM that estimates crown attributes more accurately than the other investigated CHMs. Furthermore, the findings suggest that the proposed algorithm used to fill pits with the median of height observed in surrounding pixels significantly improve the accuracy of the results the species level due to a higher correlation between the estimated and observed crown attributes. Based on these results, we concluded that the proposed pit filling method is capable of providing an automatic and objective solution for constructing pit-free CHMs for assessing individual crown attributes of mixed forest stands.

The phylogenetic analysis of Dalbergia (Fabaceae: Papilionaceae) based on different DNA barcodes

Abstract The genus Dalbergia contains approximately 250 species with many valuable trees being destroyed by targeted and illegal logging. DNA barcoding is a reliable method for the molecular identification of different species and resources conservation. In the present study, the specimen discrimination ability of internal transcribed spacer (ITS), matK, rbcL and psbA-trnH barcoding were tested on Dalbergia sequences, downloaded from the National Center for Biotechnology Information (NCBI), and the combined barcoding ITS+matK+rbcL was used to identify unknown specimens. It was found that ITS+matK+rbcL have good discrimination rates based on the analysis methods best match (BM) and best close match (BCM). These barcodes also have the best performance concerning barcode gap distribution, and are able to discriminate unknown specimens from South-China. Furthermore, it was demonstrated that D. tamarindifolia and D. rubiginosa are also relatively close to sister-species D. pinnata and D. candenatensis within the phylogenetic Dalbergia tree. Considering the overall performance of these barcodes, we suggest that the ITS+matK+rbcL region is a suitable barcode for identifying Dalbergia species.

DNA barcoding reveal patterns of species diversity among northwestern Pacific molluscs.

This study represents the first comprehensive molecular assessment of northwestern Pacific molluscs. In total, 2801 DNA barcodes belonging to 569 species from China, Japan and Korea were analyzed. An overlap between intra- and interspecific genetic distances was present in 71 species. We tested the efficacy of this library by simulating a sequence-based specimen identification scenario using Best Match (BM), Best Close Match (BCM) and All Species Barcode (ASB) criteria with three threshold values. BM approach returned 89.15% true identifications (95.27% when excluding singletons). The highest success rate of congruent identifications was obtained with BCM at 0.053 threshold. The analysis of our barcode library together with public data resulted in 582 Barcode Index Numbers (BINs), 72.2% of which was found to be concordantly with morphology-based identifications. The discrepancies were divided in two groups: sequences from different species clustered in a single BIN and conspecific sequences divided in one more BINs. In Neighbour-Joining phenogram, 2,320 (83.0%) queries fromed 355 (62.4%) species-specific barcode clusters allowing their successful identification. 33 species showed paraphyletic and haplotype sharing. 62 cases are represented by deeply diverged lineages. This study suggest an increased species diversity in this region, highlighting taxonomic revision and conservation strategy for the cryptic complexes.

Testing the potential of DNA barcoding in vertebrate radiations: the case of the littoral cichlids (Pisces, Perciformes, Cichlidae) from Lake Tanganyika

We obtained 398 cytochrome c oxidase subunit I barcodes of 96 morphospecies of Lake Tanganyika (LT) cichlids from the littoral zone. The potential of DNA barcoding in these fishes was tested using both species identification and species delineation methods. The best match (BM) and best close match (BCM) methods were used to evaluate the overall identification success. For this, three libraries were analysed in which the specimens were categorized into Operational Taxonomic Units (OTU) in three alternative ways: (A) morphologically distinct, including undescribed, species, (B) valid species and (C) complexes of morphologically similar or closely related species. For libraries A, B and C, 73, 73 and 96% (BM) and 72, 70 and 94% (BCM) of the specimens were correctly identified. Additionally, the potential of two species delineation methods was tested. The General Mixed Yule Coalescent (GMYC) analysis suggested 70 hypothetical species, while the Automatic Barcode Gap Discovery (ABGD) method revealed 115 putative species. Although the ABGD method had a tendency to oversplit, it outperformed the GMYC analysis in retrieving the species. In most cases where ABGD suggested oversplitting, this was due to intraspecific geographical variation. The failure of the GMYC method to retrieve many species could be attributed to discrepancies between mitochondrial gene trees and the evolutionary histories of LT cichlid species. Littoral LT cichlids have complex evolutionary histories that include instances of hybridization, introgression and rapid speciation. Nevertheless, although the utility of DNA barcoding in identification is restricted to the level of complexes, it has potential for species discovery in cichlid radiations.

Micro Two-Dimensional Thin-Layer Chromatography and Chemometric Analysis of Essential Oils from Selected Mentha Species and Its Application in Herbal Fingerprinting

Micro two-dimensional thin-layer chromatographic systems (micro-2D-TLCs) were optimized using some popular nonaqueous mobile phases on 5 cm × 5 cm silica plates. The optimal 2D TLC systems were chosen based on correlations of RF values vs. mobile phases concentrations performed for 1D separations. Finally plates were developed using the following mobile phases: in the first direction – ethyl acetate/toluene (5/95; v/v) and in the second direction – ethyl acetate/n-heptane (15/85; v/v). Eleven essential oils obtained by hydrodistillation in Deryng apparatus from various mint specimens were separated and then 2D thin-layer chromatograms were densitometrically scanned at the wavelength of 254 nm. Digital images (exported from densitometer software as ASCII files) were processed using ImageJ free software, and then some chemometric parameters were calculated (determination coefficient, congruence coefficient, Euclidean’s distance, Manhattan’s distance, Chebyshev’s distance) and additionally, principal component analysis (PCA) was performed to determine the goodness of matching for individual essential oils. The chemometric analysis allows one to identify individual essential oils and the examined plant materials.

Two New Potential Barcodes to Discriminate Dalbergia Species.

DNA barcoding enables precise identification of species from analysis of unique DNA sequence of a target gene. The present study was undertaken to develop barcodes for different species of the genus Dalbergia, an economically important timber plant and is widely distributed in the tropics. Ten Dalbergia species selected from the Western Ghats of India were evaluated using three regions in the plastid genome (matK, rbcL, trnH-psbA), a nuclear transcribed spacer (nrITS) and their combinations, in order to discriminate them at species level. Five criteria: (i) inter and intraspecific distances, (ii) Neighbor Joining (NJ) trees, (iii) Best Match (BM) and Best Close Match (BCM), (iv) character based rank test and (v) Wilcoxon signed rank test were used for species discrimination. Among the evaluated loci, rbcL had the highest success rate for amplification and sequencing (97.6%), followed by matK (97.0%), trnH-psbA (94.7%) and nrITS (80.5%). The inter and intraspecific distances, along with Wilcoxon signed rank test, indicated a higher divergence for nrITS. The BM and BCM approaches revealed the highest rate of correct species identification (100%) with matK, matK+rbcL and matK+trnH-psb loci. These three loci, along with nrITS, were further supported by character based identification method. Considering the overall performance of these loci and their ranking with different approaches, we suggest matK and matK+rbcL as the most suitable barcodes to unambiguously differentiate Dalbergia species. These findings will potentially be helpful in delineating the various species of Dalbergia genus, as well as other related genera.

Existence of species complex largely reduced barcoding success for invasive species ofTephritidae: a case study inBactroceraspp.

Fruit flies in the family Tephritidae are the economically important pests that have many species complexes. DNA barcoding has gradually been verified as an effective tool for identifying species in a wide range of taxonomic groups, and there are several publications on rapid and accurate identification of fruit flies based on this technique; however, comprehensive analyses of large and new taxa for the effectiveness of DNA barcoding for fruit flies identification have been rare. In this study, we evaluated the COI barcode sequences for the diagnosis of fruit flies using 1426 sequences for 73 species of Bactrocera distributed worldwide. Tree-based [neighbour-joining (NJ)]; distance-based, such as Best Match (BM), Best Close Match (BCM) and Minimum Distance (MD); and character-based methods were used to evaluate the barcoding success rates obtained with maintaining the species complex in the data set, treating a species complex as a single taxon unit, and removing the species complex. Our results indicate that the average divergence between species was 14.04% (0.00-25.16%), whereas within a species this was 0.81% (0.00-9.71%); the existence of species complexes largely reduced the barcoding success for Tephritidae, for example relatively low success rates (74.4% based on BM and BCM and 84.8% based on MD) were obtained when the sequences from species complexes were included in the analysis, whereas significantly higher success rates were achieved if the species complexes were treated as a single taxon or removed from the data set - BM (98.9%), BCM (98.5%) and MD (97.5%), or BM (98.1%), BCM (97.4%) and MD (98.2%).

DNA barcoding and species boundary delimitation of selected species of Chinese Acridoidea (Orthoptera: Caelifera).

We tested the performance of DNA barcoding in Acridoidea and attempted to solve species boundary delimitation problems in selected groups using COI barcodes. Three analysis methods were applied to reconstruct the phylogeny. K2P distances were used to assess the overlap range between intraspecific variation and interspecific divergence. “Best match (BM)”, “best close match (BCM)”, “all species barcodes (ASB)” and “back-propagation neural networks (BP-based method)” were utilized to test the success rate of species identification. Phylogenetic species concept and network analysis were employed to delimitate the species boundary in eight selected species groups. The results demonstrated that the COI barcode region performed better in phylogenetic reconstruction at genus and species levels than at higher-levels, but showed a little improvement in resolving the higher-level relationships when the third base data or both first and third base data were excluded. Most overlaps and incorrect identifications may be due to imperfect taxonomy, indicating the critical role of taxonomic revision in DNA barcoding study. Species boundary delimitation confirmed the presence of oversplitting in six species groups and suggested that each group should be treated as a single species.

A Normalized Statistical Metric Space for Hidden Markov Models

In this paper, we present a normalized statistical metric space for hidden Markov models (HMMs). HMMs are widely used to model real-world systems. Like graph matching, some previous approaches compare HMMs by evaluating the correspondence, or goodness of match, between every pair of states, concentrating on the structure of the models instead of the statistics of the process being observed. To remedy this, we present a new metric space that compares the statistics of HMMs within a given level of statistical significance. Compared with the Kullback-Leibler divergence, which is another widely used approach for measuring model similarity, our approach is a true metric, can always return an appropriate distance value, and provides a confidence measure on the metric value. Experimental results are given for a sample application, which quantify the similarity of HMMs of network traffic in the Tor anonymization system. This application is interesting since it considers models extracted from a system that is intentionally trying to obfuscate its internal workings. In the conclusion, we discuss applications in less-challenging domains, such as data mining.

A Novel Low-Complexity HMM Similarity Measure

In this letter, we propose a novel similarity measure for comparing Hidden Markov models (HMMs) and an efficient scheme for its computation. In the proposed approach, we probabilistically evaluate the correspondence, or goodness of match, between every pair of states in the respective HMMs, based on the concept of semi-Markov random walk. We show that this correspondence score reflects the contribution of a given state pair to the overall similarity between the two HMMs. For similar HMMs, each state in one HMM is expected to have only a few matching states in the other HMM, resulting in a sparse state correspondence score matrix. This allows us to measure the similarity between HMMs by evaluating the sparsity of the state correspondence matrix. Estimation of the proposed similarity score does not require time-consuming Monte-Carlo simulations, hence it can be computed much more efficiently compared to the Kullback–Leibler divergence (KLD) thas has been widely used. We demonstrate the effectiveness of the proposed measure through several examples.

협업 필터링을 이용한 순위 정렬 모델 기반 (IP)TV 프로그램 자동 추천

방송과 융합의 시대로 접어들면서 (IP)TV 단말에서 이용 가능한 프로그램 콘텐츠 수가 급격히 증가 하였다. 이로 인해, 사용자 (시청자)가 선호하는 방송 프로그램 콘텐츠로의 접근성이 주요한 사항이 되었다. 본 논문은 유사 사용자 선호도에 기반을 둔 협업 필터링을 이용하여(IP)TV 프로그램을 효율적으로 사용자에게 자동 추천하는 연구에 관한 내용이다. 개인의 시청 프로그램 선호도를 고려하여 방송 프로그램을 추천하기 위해서, 제안하는 추천 시스템의 구성은 오프라인과 온라인 연산으로 구성된다. 오프라인 연산과정에서 (IP)TV 프로그램, 장르, 채널에 대한 개인의 선호도를 묵시적으로 추론 하는 방법을 제시하고, 동적 퍼지 클러스터링 방법을 사용하여 각 개인의 선호도에 따라 사용자들을 그룹 짓되, 특징 벡터를 장르와 채널에 대한 선호도로 결합하여 사용하는 방법을 제시한다. 또한, (IP)TV 단말에 로그인 한 활동 사용자에게, 높은 정확도로 선호 프로그램을 추천하기 위해서, 활동 사용자와 관심 시청 프로그램이 유사한 사용자들을 유사도 측정 방법을 사용하여 한 번 더 추출하고, 이 추출된 유사 취향 사용자들의 선호 (IP)TV 프로그램들에 대해, EPG를 이용하여 현재 방송되지 않는 프로그램들을 제외시킨다. 마지막 단계에서는 추천 후보 프로그램들에 대해 본 논문에서 제안하는 순위 정렬 모델을 이용하여 추천 우선순위를 결정하여 제시한다. 특별히, 본 논문은 BM(Best Match) 알고리즘을 확장하여 개인 선호도를 고려한 순위 정렬 모델을 제시한다. 실험을 통해, 본 논문에서 제안한 프로그램 자동 추천 알고리듬은 2,441명의 사용자에 대해 5개의 프로그램을 추천하였을 경우, 62.1%의 예측 정확도를 나타내었다. Due to the rapid increase of available contents via the convergence of broadcasting and internet, the efficient access to personally preferred contents has become an important issue. In this paper, for recommendation scheme for TV programs using a collaborative filtering technique is studied. For recommendation of user preferred TV programs, our proposed recommendation scheme consists of offline and online computation. About offline computation, we propose reasoning implicitly each user's preference in TV programs in terms of program contents, genres and channels, and propose clustering users based on each user's preferences in terms of genres and channels by dynamic fuzzy clustering method. After an active user logs in, to recommend TV programs to the user with high accuracy, the online computation includes pulling similar users to an active user by similarity measure based on the standard preference list of active user and filtering-out of the watched TV programs of the similar users, which do not exist in EPG and ranking of the remaining TV programs by proposed rank model. Especially, in this paper, the BM (Best Match) algorithm is extended to make the recommended TV programs be ranked by taking into account user's preferences. The experimental results show that the proposed scheme with the extended BM model yields 62.1% of prediction accuracy in top five recommendations for the TV watching history of 2,441 people.

Speech processing apparatus and method using confidence scores

A speech recognition method and apparatus is disclosed in which outputs a confidence score indicative of the posterior probability of an utterance being correctly matched to a word model. The confidence score for the matching of an utterance to a word model is determined directly from the generated values indicative of the goodness of match between the utterance and stored word models utilizing the following equation: confidence = exp ⁡ ( - 2 σ ⁢ S ⁡ ( x | w ) ) ∑ words ⁢ exp ⁡ ( 2 σ ⁢ S ⁡ ( x | w ) ) where S(x|w) is the match score for the correlation between a signal x and word w and σ is an experimentally determined constant.

2792

An important class of methods for automatic segmentation involves statistically trainable deformable-shape models (SDSMs). The general approach is to apply a SDSM to an image and cause it to undergo a series of deformations converging to a close match between the SDSM and the target anatomic object(s). The deformations are driven by optimizing an objective function with terms for the probability of the geometry of the model, and the goodness of match between the model and the image data. Finding a satisfactory solution for the latter term in general is a challenging research problem.

Body-surface potential mapping to aid ablation of scar-related ventricular tachycardia

We investigated whether body-surface potential mapping (BSPM) during catheter ablation of scar-related ventricular tachycardia (VT) could assist with the identification of VT exit sites. The study population consisted of 9 patients who underwent catheter ablation for VT, among whom 12 induced VTs with known exit sites were identified by entrainment criteria, pace mapping, or site of successful ablation. Paced activation was initiated at various intracardiac sites (20 ± 4 sites per patient, a total of 180) documented by nonfluoroscopic electroanatomic mapping. During all episodes of VT and pacing, patients had a 120-lead electrocardiogram recorded, and we analyzed these electrocardiographic data—by means of a similarity coefficient (SC) calculated over 100 milliseconds after the initiation of depolarization—to assess the similarity between the BSPM sequences occurring during VTs and those induced by pacing. Based on 245 observations, the relationship between the SC and the distance of the pacing site from the VT exit site was then obtained for each individual VT by linear regression analysis: the distance D (in millimeters) from the VT exit site was related to SC by the regression equation D = slope (1 − SC 2) + intercept. The parameters in this equation varied widely for the 12 VTs, but, in general, the nearer the pacing site was to the exit site, the better the goodness of match. This suggests that, although there is no universally applicable relationship between D and SC, BSPM could provide a useful adjunct to standard pace mapping, although additional processing—namely, an inverse calculation of epicardial potentials/isochrones—may be needed to reliably identify VT exit sites from body-surface electrocardiograms.

Statistical modelling of information sharing: Community, membership, and content

File-sharing systems, like many online and traditional information sharing communities (e.g. newsgroups, BBS, forums, interest clubs), are dynamical systems in nature. As peers get in and out of the system, the information content made available by the prevailing membership varies continually in amount as well as composition, which in turn affects all peers’ join/leave decisions. As a result, the dynamics of membership and information content are strongly coupled, suggesting interesting issues about growth, sustenance, and stability. In this paper, we propose to study such communities with a simple statistical model of an information sharing club. Carrying their private payloads of information goods as potential supply to the club, peers join or leave on the basis of whether the information they demand is currently available. Information goods are chunked and typed, as in a file-sharing system where peers contribute different files, or a forum where messages are grouped by topics or threads. Peers’ demand and supply are then characterized by statistical distributions over the type domain. This model reveals interesting critical behaviour with multiple equilibria. A sharp growth threshold is derived: the club may grow towards a sustainable equilibrium only if the value of an control parameter is above the threshold, or shrink to emptiness otherwise. The control parameter is composite and comprises the peer population size, the level of their contributed supply, the club’s efficiency in information search, the spread of supply and demand over the type domain, as well as the goodness of match between them.

A plug-in program to perform Hanawalt or Fink search-indexing using organics entries in the ICDD PDF-4/organics 2003 database

In an attempt to fill a gap between fully automatic search/match programs and purely manual methods based on paper products, a relational database plug-in has been developed that functions as a PC-based Search/Index program for extracting information from PDF-4 powder diffraction databases. The plug-in provides an adjustable search window and match window to account for experimental errors. Both Hanawalt and Fink search methods are incorporated. In this paper, we report search-indexing results obtained with the new PDF-4 plug-in applied to a new relational database, the PDF-4/Organics 2003. This database has 24 385 experimental entries and 122 816 calculated patterns derived from the Cambridge Crystallographic Database. We introduce a goodness of match (GOM) parameter to describe the relative agreement between the experimental input data and selected reference patterns from the PDF-4/Organics 2003. The relevance of the GOM is illustrated in several example problems. Multiphase samples can be treated on a phase-by-phase basis.

ICDD'S New PDF-4 Organic Database: Search Indexes, Full Pattern Analysis and Data Mining

In an attempt to fill a gap between fully automatic search/match programs and purely manual methods based on paper products, a relational database plug-in has been developed that functions as a PC-based Search/Index program for extracting information from PDF-4 powder diffraction databases. The plug-in provides an adjustable search window and match window to account for experimental errors. Both Hanawalt (Hanawalt, J.D. and Rinn, H.W. (1936). Ind. Eng. Chem. Anal., 8, 244.; Hanawalt, J.D. (1976). Advances in X-Ray Analysis, 20, 63–73; Hanawalt, J.D. (1983). Crystalograplty in North America, Apparatus and Methods, Ch. 2, pp. 215–219. American Crystallographic Association.] and Fink [Bigelow, W. and Smith, J.V. (1965). ASTM Spec. Tech. Puhl. STP, 372, 54–89.] search methods are incorporated. In this article, we report search-indexing results obtained with the new PDF-4 plug-in applied to a new relational database, the PDF-4/Organics 2003. This database has 24 385 experimental entries and 122816 calculated patterns derived from the Cambridge Crystallographic Database (CSD). We introduce a goodness of match (GOM) parameter to describe the relative agreement between the experimental input data and selected reference patterns from the PDF-4/Organics 2003. The relevance of the GOM is illustrated in several example problems. Multiphase samples can be treated on a phase-by-phase basis.