Data search program

The RMC HARIS (Hazards and Reliability Information System) programs provide organizations with a data ban)c of reliability, maintainability, accident, and source-abstract data. The programs permit the input of information in a standard data sheet format. Search capability is built into the programs for retrieval of these data sheets against specific search profiles. HARIS presently contains over 4400 data sheets. 

As already stated above, the database has been developed using ISIS software. The program operation is very simple, and about 30 min to learn the particular commands of this structure-searching program. ISIS provides both storage and retrieval of chemical structures. It is also possible to store text and numeric data into database entries. Because molecular structures are searchable in many ways, ISIS software is an excellent tool for exploiting data, and not simply archiving it. 

Once an entry of interest in the Cambridge X-ray file has been located by one of the search programs, its crystal sequence number can be used to retrieve the appropriate literature reference, structure, or co-ordinate data or both. 

The data base of some 27,000 powder diffraction patterns that is used in the CIS (5) is in fact a direct descendant of that with which Hanawalt carried out his pioneering work. A problem that arises in connection with this particular component stems from the fact that powders, as opposed to crystals, are frequently impure and so the patterns that are obtained experimentally are often combinations of one or more file entries. A reverse searching program, that examines the experimental data to see if each entry from the file is contained in it, has been written after the general approach of Abramson (23), and seems to cope with this particular difficulty. It is currently running in test on the NIH PDP-10 and will be made available to the scientific community during the latter part of 1978. 

NIST Standard Reference Database 1A, NIST/EPA/NIH Mass Spectral Library with Search Program (Data Version NIST 02, Software Version 2.0). 

X-ray powder diffraction data may be helpful but are often hard to interpret for complex mixtures use of computer data file search programs (6) and microcamera methods for single particle analysis (7) may be useful for identification. Comparative sample identification is generally less often possible than for metals since the latter are manufactured while the nonmetallic inorganic solids are often unprocessed materials with large property variations. However, where applicable, the following are some examples of determinations which might be made (a) particle size by microscopy (b) microstructure and sub-microstructure characterization... 

In the case where MS analytical data has been contributed in the other formats, it is prepared into a NIST MS Database, using the NIST MS Search program. This program is used to create MS spectral files from the following electronic formats JCAMP, NIST ASCH, AMDIS, and NIST MS Database. If the analytical data contains no chemical structure, the structure is created in ISIS Draw and then imported into the database as an MOL file. The information associated with the MS analytical data is handled by the NIST program. 

Data Cartridge. A popular term for user-customizable search "operators" that can be added to the SQL language of a relational database system. An example in chemical information is the addition of a substructure search (SSS) operator to integrate this type of search directly into a relational database search. One advantage of this approach is that the search "strategy" that the relational search program applies can take the complexity of the custom operator into account (the "cost") when performing the various search operations. 

Ninety-three percent of laboratories submitted their data to either (or both) the ExPASy or Propsearch Internet sites. One laboratory used its own identification software and 4 did not attempt identification. Forty-one facilities reported the analysis of a calibration protein of their choice that was analyzed along with the experimental sample. Both the methods of analysis and search programs contain many variables, and it is necessary that all data be treated similarly to allow comparisons. To allow for comprehensive comparisons, the AAA committee recalculated the mol % and error data as described in Materials and Methods and submitted all data sets to both search programs. For the ExPASy site, data were submitted with and without the calibration protein to determine the benefit of a calibrant. The conclusions drawn below are from the committee s resubmissions. 

Figure 3. Correlation of Scores on Propsearch or ExPASy with Average Error of Analysis. The score given by Propsearch (graph on left) or ExPASy (graph on right) for tpis rabit was plotted against the average error for that analysis of the protein. Calculated mol % data for the query protein were submitted to search programs without calibration standard (if any). Proteins ranked as number 1 A, rabbit tpis , tpis from species other than rabbit and o, other protein.

Commercial software for carrying out these calculations, based on hundreds of thousands of chemical shifts in a database, is widely available. The procedure is begun by drawing the structure of the compound under study. The program then searches the database for molecules with protons whose structural environment resembles that of the compound under study. From the available data, the program calculates and displays the expected proton spectrum. Such information is extremely valuable, because the amount of empirical data available from the program vastly exceeds either the amount resident in the minds of most experimentalists or even in all published compilations. 

Let us describe the principles and on-line operation of program "SEP-Search", developed and checked in the Emilio Segre Observatory of Israel Cosmic Ray Space Weather Center. The determination of increasing flux is made by comparison with intensity averaged from 120 to 61 minutes before the present Z-th one-minute data. The program for each Z-th minute determines the values... 

Users with in-house computers may lease from the JCPDS [14.3] magnetic tapes on which are stored all the diffraction data of the current card file. Johnson-Vand search programs for use on IBM 360/370, Univac 1100 series, or CDC 6000/7000 series computers are supplied with the tapes. 

K2 [13] is a distributed query system that has been developed at the University of Pennsylvania. K2 relies on a set of data drivers, each of which handles the low-level details of communicating with a single class of underlying data sources (e.g., Sybase relational databases, Perl/shell scripts, the BLAST family of similarity search programs, etc.). A data driver accepts queries expressed in the query language of its underlying data source. It transmits each such query to the source for evaluation and then converts the query result into K2 s internal complex value representation. Data drivers are also responsible for providing K2 with data source metadata (i.e., types and schemas), which are used to type check queries. 

Concentrations of exhaust components were digitized and recorded by computer every 0.5 seconds during each driving test. In addition, other data such as vehicle speed, throttle position, and fuel consumption rate also were recorded every 0.5 seconds. All data recorded were electronically loaded into a computerized relational data base program. This program allowed computations (e.g., of A/F and exhaust flow rate), logical searches and classification of data (e.g., selection of all periods where the A/F and the acceleration were within specified limits), and plotting of results to be performed quickly and easily. 

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