Tabular identifiers

The most commonly used identifiers today include line notation identifiers (e.g., Simplified Molecular Input Line Entry System [SMILES] and International Chemical Identifier [InChls]), tabular identifiers (e.g., Molfile and Structure Definition [SD] file types), and portable mark-up language identifiers (e.g., Chemical Markup Language [CML] and FlexMol). Each identifier has its strengths and weaknesses as detailed in Chapter 5. Chapters 5 and 6 provide enough information to guide researchers in choosing the most appropriate formats for their individual use. 

A major disadvantage of a matrix representation for a molecular graph is that the number of entries increases with the square of the number of atoms in the molecule. What is needed is a representation of a molecular graph where the number of entries increases only as a linear function of the number of atoms in the molecule. Such a representation can be obtained by listing, in tabular form only the atoms and the bonds of a molecular structure. In this case, the indices of the row and column of a matrix entry can be used for identifying an entry. In essence, one has to distinguish each atom and each bond in a molecule. This is achieved by a list of the atoms and a list of the bonds giving the coimections between the atoms. Such a representation is called a connection table (CT). 

We previously encountered failure modes and effects (FMEA) and failure modes effects and criticality analysis (FMECA) as qualitative methods for accident analysis. These tabular methods for reliability analysis may be made quantitative by associating failure rates with the parts in a systems model to estimate the system reliability. FMEA/FMECA may be applied in design or operational phases (ANSI/IEEE Std 352-1975, MIL-STD-1543 and MIL-STD-1629A). Typical headings in the F.Mld. A identify the system and component under analysis, failure modes, the ef fect i>f failure, an estimale of how critical apart is, the estimated probability of the failure, mitigaturs and IHissihiy die support systems. The style and contents of a FMEA are flexible and depend upon the. ilitcLiives of the analyst. 

Task Analysis and Error Analysis of the Blowdown Operation Task analysis was carried out in order to organize all the performance data about the way that workers process information, the nature of the emergency and the way that decisions are made. Figure 7.20 shows a tabular task analysis of the workers response to a significant unignited gas leak in MSM. The analysis was a combination of a tabular HTA and a CADET analysis (see Chapter 4). Human error analysis identified the major human failure modes which could affect time to blowdown (see Table 7.2). 

Run a single-point energy calculation on methanol using the HF/6-31++G(d,p) model chemistry, including the GFPrint and GFinput keywords in the route section which request that the basis set information be included in the output file (in tabular and input format, respectively). Examine the basis set output and identify its main components. 

A second method used to verify the validity of the results is visual inspection of the graphic data. After the tabular results are presented, the operator can call a subroutine which plots the stress-strain curves. Anomalous curves can usually be easily identified in this manner. 

Document the identified hazards. The PrHA report should list identified hazards in tabular form and/or discuss each hazard briefly in the text. Doing both is preferred. New or previously unidentified hazards should receive particular attention and discussion. 

Before the need of fire protection measures is defined, the type of hydrocarbon fire exposure should be identified. By determining the type of fire expected, the adequacy of the fire protection measures based on the philosophy of protection for the facility, can be assessed. The easiest method to arrive at the protection requirements is to identify the materials and pressures involved in the process. Once this is accomplished, the most appropriate fire control or suppression mechanism can be identified from NFPA 325M. Tables 3 and 4 provides examples of a tabular format that can be used to document the fire control mechanisms that have been chosen. 

A tabular approach to identifying appropriate biological, spatial, and temporal scales for different components of the assessment process, illustrated for a hypothetical assessment of risks to birds from a corn insecticide (see also Figure 2.2)... 

Mass spectrometers provide computer output as bar graphs (Fig. 2.1) and as tabular data. Minor peaks, many of them resulting from possible impurities, occur at almost every mass unit. The minor peaks are frequently deleted in the bar graph (those < 0.5% have been omitted in Fig. 2.1). A search of the computer s library and a fit to these peaks may either identify the compound or suggest near structures. Peak heights are proportional to the number of ions of each mass. 

There are two ways of presenting steam balance data, schematically or tabularly. For both presentation types, a balance is made at each pressure level. In a schematic balance, such as that shown in Figure 9, horizontal lines are drawn for each pressure. The steam-using equipment is shown between the lines, and individual flows are shown vertically. Table 3 contains the same data as shown in Figure 9. In both cases the steam balance has been simplified to show only mass flows. A separate balance should be developed that identifies energy flows, including heat losses and power extraction from the turbines. 

SPC) systems are being installed. These provide instant analyses of the information obtained in graph, tabular, or report form and identify subtle changes in cooling system performance that may require operator attention. In addition, many service companies now have database information systems, which can be accessed by both the field representative and the customer. Chemical treatments are increasingly incorporating some form... 

The most successful way of recording seems to be one of making a brief note to demonstrate that a deviation has been considered, and completing a more detailed report describing the identified hazards. This report is usually in tabular form and has the headings ... 

Annex 1 provides a case-study of a qualitative characterization of uncertainties in an exposure assessment. Table A1.2 in Annex 1 details the evaluation throughout the three-dimensional characteristics. Included is an overall conclusion on sensitivity—that is, those aspects that have the most significant impact on the outcome of the assessment, as better data collected on these features would considerably reduce the measure of uncertainty. An example of the overall conclusion is given in section A 1.5 of Annex 1. The main uncertainties identified in the assessment are tabulated, as illustrated in Table 5, and a brief explanation of the weights given to them in reaching an overall conclusion is provided. In addition, a textual description of the qualitative characterization of tabular output should include an indication of overall uncertainty, based on the collective impact of each of the sources. 

Information from the tables should not be repeated in the text except as part of a concluding statement about the tabular data or trends seen in the data. The commentary on data from the tables should precede the table, beginning with an introduction to the table by number and a statement identifying what type of data it contains. Additional commentary related to the table but not derived from the tabular data may follow the table. 

Six possible feedback loops are developed to satisfy each of the six control objectives. The control objective and the manipulated variable are identified for each one. Control objectives and manipulated variables for feedback control are provided in tabular format ... 

Fig. 15. Plot of 5 C versus 8 0, with individual points identified by cementation types. Vadose types include nodule, platy and rod concretions, as well as type 2 tabular units. Phreatic types include ovoid to elongate concretions as well as type 1 tabular units. In general vadose cements have heavier carbon values and lighter oxygen values than phreatic cements. Phreatic and type 3 (phreatic) units that plot with oxygen values greater than -10 are from the upper part of the Unnamed Member.

In-text tables should be used whenever they simplify the presentation and allow for substantial reduction in text. Comprehensive multipage tables that interrupt text should be avoided, if possible, unless they are critical to the development of the thesis of the section. However, if the tables are very important, they can be placed in the same volume in an appendix. Usually, data can be collapsed to be included in the in-text table, with reference to the full table in an easy-to-locate appendix. It should be mentioned here that any tables, figures, or graphs in the appendices must have in-text references. Information from the tables should not be repeated in the text except as part of a concluding statement about the tabular data or trends seen in the data. The commentary on data from the tables should precede the table, beginning with an introduction to the table by number and a statement identifying what type of data it contains. Additional commentary related to the table but not derived from the tabular data may follow the table. 

SNPs. If the user had selected to search the human and rodent sequences for SNPs, their location will be displayed in the PNG image. If any SNPs fall within 20 bp of a reported predicted site, the SNP will be identified as a highlighted hyperlink in the tabular results. The link will redirect the user to the dbSNP information page for that particular SNP. Two HTML pages will also be produced that show every SNP found as a highlighted hyperlink within the individual promoter regions. 

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