JPH05509183A - How to structure or store data in files - Google Patents

Abstract

(57) [Summary] This bulletin contains application data before electronic filing, so abstract data is not recorded.

Description

[Detailed description of the invention] How to structure or store data in files [Technical field] The present invention relates to data processing, and more particularly to structuring or structuring text data into files. and the files containing these data.

[Background of the invention]

Many existing methods for recording (archiving) data etc. in computers This procedure uses a fixed format file; The structure of the data within the file is determined by the specific requirements of the data. solid Although fixed-format files are easier and faster to access, The data structure cannot be updated without changing the format of the file.

Other archival files are also available in the Bri Defined Free Format. (pre-defined free formats)' 7,i , - theory, according to this approach, data is stored at a specific location within the file. Not limited. In order to make data easier to identify, data is often -′ is used, according to which the array of each data line and the information about each item are Restrictions will be eased. Even so, the free format file currently in use Access requires some advanced knowledge of the expected data type and structure. knowledge is necessary. Also to add any new data types or data structures would still require modification of the processing software. This means that both old and new data Redecorating existing data processing software with updated files This means that they must be commonly accessible. this place In this case, the term free format means that this is relatively limited in practice. This can be understood as improving flexibility within a data structure. Easy to mislead.

The above two conventional approaches to archival files Due to the lack of flexibility, even within the same specialized department, and in particular, the number of data and its If the data changes constantly and rapidly, the ability to replace data is limited. . This is true in many data processing fields, and as a result, A variety of specialized "local" file formats have been around for years. has been developed. However, electronic data transmission is less frequent and The processing speed is also suitable for the specific final use of the file format. Inequality in file formats is acceptable in cases where it suffices. ( With the rapid development of seven-dimensional computer power and the Hunbuter network, There are indications that this situation may be coming to an end. data exchange, glober In this day and age, modern databases, e-mail, electronic publishing, etc. are becoming widespread. In today's world, a common, flexible, and extensible file format is urgently needed. is needed.

SUMMARY OF THE INVENTION The present invention provides an improved file system that overcomes these or more of the problems set forth above. The purpose is to provide a file format and a method for processing data using it. .

[Disclosure of the invention]

According to the first aspect of the present invention, in order to structure or accumulate data in a file, A method is provided that includes the following steps: (i) each of the files is arranging into multiple data blocks prefixed with the data block code of (1 1) The data in each block is divided into multiple data formats with each data name prefixed. data items.

In this case, the data block code with the first common feature is the first one specified in advance. data taken from the set in any order and with a second common characteristic. The data names are taken in any order from a prespecified second set, and this result As a result, the first common feature and the second common feature can be easily distinguished.

A file's attributes can be read visually by exposing it to a readable device. It is preferable that the Each line of text has a predetermined A limited number of visible ASCII characters are included, which is typically 80.

Each data item may be directly preceded by its data name. This cost An alternative method is to repeat the desired number of times after multiple data names in one group. may be accompanied by the same number of data items.

and its °blockcode’ is the only block code in each case. Although the data processed in can be about any desired subject, this method Particularly suitable for crystallographic data. In addition to this, chemical data in the fields of chemistry and pharmaceutical sciences (especially molecular data) is also suitable.

This method is compatible with high-end machines and highly flexible, so Recording of data (archiving) and data entry into a database It is also particularly suitable for data input.

This method also allows for transmission of text and data over computer networks. It is convenient for child transmission, and also for publication in technical magazines (pub It is also suitable for submission of 11cations).

The advantage of this method is that the files are stored as text, characters, or quantities. Each piece of data is uniquely identified by a text name. Hidden so that this text name is a visually distinguishable identifier as well as a machine useful as. Furthermore, data items can be represented in different orders.

From the above, this method is a procedure for text data processing, and is originally a computer Although it is intended for computer applications, it is not itself a computer program. It will be understood that this does not pertain to grams. Also, this expression - Since the mat is arbitrary, it has no bearing on how the information is represented.

According to a second aspect of the present invention, for structuring or storing data in a file, (i) the files are stored in each data block; A means for organizing data blocks into multiple data blocks prefixed with code. A means of adjusting the temperature.

In this case, the data blocks with the first common feature are in the prespecified first set. are extracted in any order from , and the data names with the second common feature are are extracted from the pre-specified second set in any order, and the result is This means that the first common feature and the second common feature can be easily identified.

According to the third aspect of the invention, each data block code is prefixed with A data file containing multiple data blocks is prepared, but each block Each data item in the block has its own data name. and In this case, data blocks with the first common feature are assigned to a pre-specified first set. data names with the second common characteristic. The second set specified in advance will be taken out in any order, and the first This means that the common feature of the second common feature can be easily identified.

Different types of information suitable for filing in this include crystallographic data. included.

According to a fourth aspect of the invention, means for retrieving data from a file of the above type. is provided, including a means for creating a list of requested data items; means for outputting the requested data item based on the request instruction; Contains an output file that has the same format as the accessed file. Ru.

[Description of preferred embodiments]

Next, preferred embodiments of the present invention will be described based on examples.

To aid understanding, we will first introduce three existing types of predefined free formats. Explain the cut.

The BCCAB archive file contains the collected results. Cambridge data to prepare the crystal structure database file ASER Center (UK). Appendix l is one entry of the BCCAB file. This is an excerpt from Tory. This format is sensitive to row order and to import rows at any time. Identification code with flexibility to put (e.g. 1lAutho) r) is ``free'' in the sense that it is attached to many lines. Also, Equivalent data items are each separated by either a blank or a comma. is "free" in that it is separated by A besshi and a number of data columns are predetermined, and functions within the BCCAB definition are Fixed. The software of this formant is then Schedule a defined protocol. Violations of this protocol, i.e. If unrelated data exists, it will be treated as an error and data access will be disabled except in emergencies. Seth is terminated.

A second example of a ``Bridified Free Format'' file is provided in Appendix 2. Published XTAL3. O Crystallography Program System (Hall and Steward, 19 This is the file used in 1990). This means that each row as well as many individual Each data item has an identifier, so it can be used in a “free format” Classified as a file.

However, this also ensures that changing the order of row inputs is within strict guidelines. It can only be done. And in this file, the program initialization line (uppercase Although the control lines (with line cords) are in good order, the control lines (with small (with character code) is unique to each dedicated program. day Data items and data codes are also unique for each row. And imp If a set rule is violated, data processing for this file will be aborted. like this The type of restriction is that many “Bri-defined free format files” This is something that is commonly seen.

A final example of a ``Bridefined Free Format'' file is provided in Appendix 3. Standard Crystallography File Structure (SCFS) published (Brown, 1988).

The structure of this archival file is more restrictive than the two examples above.

Regarding the order data sequence (note the sequence end code★EO8) provides some flexibility, but the data items and cache within each sequence The tractor is fixed. and add special types of data to this 5CFS This is almost impossible unless you invalidate the data that has already been recorded.

Now, according to the present invention, in particular, an archive in a computer for archiving and electronic transmission of text and numerical data. It is a text archive of definition expressions and is recoverable (Self-defining). Text Archive and Retrieval) file (ST AR file) is provided. This file contains data structures (i.e. data Contains standard ASCII text that defines both the array (array) and the data item. So so that each data item is clearly identified by name and can be stored in any order. Can be accumulated. Then, a simple syntactical rule (sy (tactical rules): Each data file in the 5TAR file the data item is accessible and no other knowledge of the data item is required. be.

A 5TAR file is normal text data that can be edited by a text editing device. Can be edited and read. In addition, the content is easy to understand, just like the text. Furthermore, it can be stored and electronically transmitted without conversion. 5 TAR Hua The structure of the file is simple. Each file is a data item containing individual data items. The data block is divided into a sequence of data blocks. And each day The data item is identified by the prefixed data name. Also, a simple loop structure By placing each data item within the , it is possible to repeat each data item.

Note that this 5TAR file can be defined by a few simple rules. I want to be And this provides maximum flexibility regarding data storage. and its maximum possible applicability is achieved.

Regarding the order of data blocks and data items, the identification name is unique to each. No preconditions are necessary other than that it must be. Also, the data name and data Regarding the placement of items, the name must be placed before the item. There are no special rules other than that.

Access to data within a 5TAR file is accessed by accessing the data within a specific data block. This is done by requesting a unique name for the data. Also, the type of data, whether the item forms a loop or whether the item exists in the file. There is no need to know in advance whether a program exists or not.

Next, some examples of data syntax are given as a guide to the 5TAR file concept. do. The data block has the following structure: 'data, blockcode' Identified by a dedicated string with .

- Examples are as follows.

Identified by Data name and associated data items that follow Here are three examples.

;Prof Barry O’Conne II Department of Chemistry University of Kalamazo.

Michigan U, S, A.

Data items can be repeated individually or in groups; corresponds to a looped data item and is specified by the string “1oop”. determined. Below are examples of looped data items.

exptl crystal face ko 0 1 0, 012 0 0 1 0.012 1 0 0 0, 023 -1 0 0 0.023 STAR files are text files with standard visible ASCII characters. A formatted sequential file that contains any standard text compilation. It can be viewed or edited using a collection device.

A 5TAR file is divided into any number of sequential data blocks.

Then, the data structure (i.e. data order) is determined by the information for each data block. Data items are determined. All of this information is as easy to understand as the text. It is.

Next, the "save frame" command will be described. child The basic purpose of the “save frame” command is to Define one block of data items that can be referenced internally through the code Is Rukoto. That code is the “save frame” code, which is the data block Used as a character string prefixed with the letter “S” within the lock. Ru.

This save frame command repeats data definitions within a data block. Moreover, these definitions are independent of each other. save frame setting The definition is to set the reference item as the frame code. Can be prefixed or suffixed.

Frame codes may also be referenced in other save frames, but References are not allowed.

The specifications of the 5TAR file are given by the following nine syntax rules. It will be done.

■The text string must be a string with no spaces or a single quote for matching. a string delimited by marks or double quotes (i.e. <′> or <′>), or or a sequence of lines separated by a semicolon <;> as the first character of a line. (in-sequence). If enclosed in semicolons Do not allow text strings to span more than one line, except when necessary.

be a text string preceded by an identifying data name.

4. A data loop is a list of data names followed by an iterated list of data items. and prefixed with the text string 1oop'.

5. The save frame is the text string °5ave framecode’ A sequence of data names, data items, and data loops, prefixed with The framecode is the only identification code in one data block. Let's do it. The sequence of save frames can be changed by other save frame commands. , or by the text string 5top', or by the data block frame Close by command.

6. The data block is a text string 'data blockcode' Data names, data items, data loops, and save frames prefixed with sequence, and its °blockcode" is the only one in the 5TAR file. This is the identification code. This data block sequence is similar to other data block instructions. Or close it when the 5TAR file ends.

7. The data name is for each save frame sequence and one data block sequence. must be the only one of its kind. A save frame declaration is a single device. must be the only one in the data block. The save frame code is Included within one data block as a data item 'Sframecode' You can also let

8. A sequence of blank or tab characters indicates that this is one text string. Only to separate text strings unless contained within a ring to use.

9. A single pound sign °#゛ means that it is contained within a single text string. Characters on a line are used only for comments, unless otherwise specified. is considered to imply that

The key to accessing the 5TAR file is the data name. And for prescribed use Carefully and accurately define the data names needed for the purpose in the assigned vocabulary. It is vital that we understand the truth. The data name and its definition are No changes may be made during the period, but new names and definitions may be added and changed as necessary. I can't support it. The collection of common words does not limit the data that can be stored in the 5TAR file. Provides information only about data items for general use.

One of the applications of this 5TAR file is for crystallographic information file (CIF). It is used as a base. Below, using this application as an example, the 5TAR file code is shown below. Explain the concept.

Although CIF is intended only for crystallographic data and text, there are There are certain formatting restrictions for use. But on this format This restriction simplifies data processing in the 5TAR syntax, but its flexibility It does not impair the characteristics of cyplicity. Such a system The rules include definitions of specific data types and limits on text strings, and other These limitations may also arise when used in scientific applications. This will be discussed below. Bell.

The length of 10 lines must not exceed 80 characters.

2. The length of the data name and block code must not exceed 22 characters.

3. Data items must be enclosed in single or double quotes for matching. numbers θ~9, plus '+', minus '-' or periods. If it starts with °, ′, it is considered to be related to the type number.

The number may be an integer, a real number, or in scientific format. numbers in parentheses If it is connected to other numbers in parentheses, calculate the standard deviation [e.g. 0 units, n nn(m):].

4. Data items are typed text if they span more than one line. considered to be related to a strike.

5. Data items are enclosed in single or double quotes for matching. and is neither a type number nor a type text, the type letter is considered to be related to.

6. Only one level of looped data is allowed, and repeated data Additional levels of data must be accumulated as a list within a single text string. Must be.

Appendix 4 contains two data blocks: 'manuscript' and 'cryst'. An example of a CIF file containing an al-structure is shown.

Data is retrieved from the 5TAR file by locating its data name. It will be done. This is usually the same as 'parsing' the file in question. Executed by locating the data name request list. 5 TAR Hua The existing software called QUASAR is used to access files. QUASAR is used to identify data items and data blocks. are output in the requested order. This output file file The format is also 5TAR. For a specific data block, the same data access You can request an item up to 5 times. This 5TAR file is the constantly checked for physical integrity. The name of the archive file (i.e. The 1nput 5TARfile) and output 7 file contain Names of strings “5tar arc’” and “5tar out” respectively , and these names will be registered at the start of the requested list. .

An example of this request list is shown in Appendix 5, but we will not use these files here. files are named 'qtest, arc' and 'qtest, out'. It is.

Appendix 6A and 6B show the file “qtest, out”; This is the output as a result of registering the request list in Appendix 5.

Appendices 6A and 6B are files that are output by registering the request list in Appendix 5. test, out. This output itself is the STA R file. However, this can also be handled by the request list.

For each item requested that was removed from the archive file? ? Please note that .

Appendices 7A and 7B contain save frame frames for standard molecular data formats. An example of a command is shown.

[Industrial applicability]

The file formats and related data processing methods described above are general-purpose It has advantages in terms of flexibility, advanced compatibility, and flexibility. This fa The file is independent from the device and is portable, so the origin of each Each data item can be accessed completely independently. Also, this file The ability to import further data without modifying existing files is a fundamental feature. This is a matter.

This 5TAR file format meets the requirements for general-purpose archive files. Matches and organizes any type of text or numeric data in any order is available for. It is also suitable for electronic transmission.

The dual benefits of advanced compatibility and flexibility are important for any new archiving system. This is a much-awaited feature for Stem.

These characteristics are due to the existence of extremely diverse data and the fact that its archival This is particularly important in fields such as crystallography, where the requirements for a What is the software created for a data file written in a laboratory? Regardless, it is essential that it be easily readable by other laboratories. This again You can easily “view” these files without using complex archival software. It is also important to be able to do so.

In addition, the flexibility of this 5TAR format and the ability to visually see Qualities are also important for long terminology. CIF has local data. In addition to data items, it also includes global data items. This makes it ideal for data communication not only within the facility but also externally. XTA Existing program systems like L are faster and more compact than character files. Currently, we are using self-defining binary files because of the . Improvements in computer technology include flexible, visible, and The value of easy-to-edit character formats outweighs speed and disk respectability. It is essential.

This file format is useful if part of the file is e.g. It also has the advantage of being robust, as the entire file remains intact even if it is lost. ing. In contrast, in the case of a database (database system), character Loss of data may lead to data alteration.

[Brief explanation of appendix]

Appendix l is a comprehensive crystallographic structure database file for the preparation of ASER. This is an example of the BCCAB document record file used in the Bridge data center. Ru.

Appendix 2 is the crystallography program system XTAL3. “Buri” used in O. This is an example of a defined free format.

Appendix 3 provides standard crystallography as an example of ``Bridefined Free Format''. File structure.

Appendix 4 is an example of a crystallographic information file CIF.

Appendix 5 is an example of a request list.

Appendices 6A and 6B are the outputs resulting from entering the request list in Appendix 5. yh file °quest, out'.

Appendices 7A and 7B contain “save frames” related to standard molecular data formats. This is an example of a command.

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'C1ark, Joan 1. ’ , υn1versiey of WashingLonseattle If Δ98195 '1/2-x, 1/2+y, l/2-z'1/2+x, 1/2-y, 1/ 2+z’APPENDXX 6B -expjl-radiation-wave-1*nBh 1.54179- exptlradiatinn-type? ? JRequestedIfemn oepre5@ntAPPEND Engineering X7A -atom-bond-order-conv@neion simpleAP PEND work X 7B abstract A method for structuring or accumulating data in a file, which includes the following steps: (i) Multiple files, each prefixed with its own data block code (ii) organizing the data inside each block into data blocks of also includes organizing multiple data items with each data name prefixed. and a first set of prespecified data blocks with a first common characteristic. , in any order, and specify the data name with the second common feature in advance. The first common set is extracted from the second set in any order. A method that allows a feature and a second common feature to be easily identified.

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Claims (13)

[Claims] (1). A method of structuring or accumulating data in a file, with the following steps: , (i) A file may be a plurality of files, each prefixed with a respective data block code. (ii) organizing the data inside each block into data blocks; It includes organizing multiple data items with each data name prefixed. , and a first set of prespecified data blocks with a first common feature? data in any order and specify a data name with a second common characteristic in advance. the second set, in any order. A method in which one common feature and a second common feature are easily distinguishable. (2). A file can be read by applying it to a reading device The method according to claim 1. (3). Each line of text contains up to a preset maximum number of visible ASCII characters. 2. The method of claim 2. (4). Claim 1 in which each data item is directly preceded by its respective data name - 3. The method according to any one of 3. (5). This is repeated the desired number of times after multiple data names in one group. Claims 1 to 3 include the same number of data items as the method of. (6). The first common feature is the text string 'data-' and ' blockcode’ is the only block code in each case, then the first The characteristics of each member of the set are in the form of a ‘data-blockcode’. The method according to any one of claims 1 to 5. (7). The second common feature is the underline ‘-’ and the ‘name’ For each data name, the characteristics of each member of the second set are '-na 7. The method according to any one of claims 1 to 6, wherein the method is in the form of me'. (8). According to any one of claims 1 to 7, the data to be processed is crystallographic data. How to put it on. (9). A means for structuring or accumulating data in a file, comprising: (i) a file; are multiple data blocks, each prefixed with its own data block code. and (ii) means for organizing the data inside each block. a first data item; Data blocks with common characteristics are selected in any order from a prespecified first set. A second set with a data name with a second common feature specified in advance. The first common feature and the second common feature can be extracted from the first common feature in any order. A means that makes the characteristics easily distinguishable. (10). Each consists of multiple data blocks each prefixed with a data block code. Each block contains multiple data items, each prefixed with its own data name. A data file that includes items and has a first common characteristic. Blocks are taken from a prespecified first set in any order and The data names with the second common characteristic are selected from the prespecified second set in any order. This allows the first common feature and the second common feature to be easily identified. A data file that has been made identifiable. (11). The claim is that it can be read as text by applying it to a reading device. The data file described in Scope 10 of the request. (12). Claim 10 in which the file relates to crystallographic data or The data file described in 11. (13). Data from the data file according to any one of claims 10 to 12 Create a list of requested data items. and outputting the data items in the requested order. , enter this output list in the same format as the data file you accessed. A method that includes the following: