DIN ISO 22029-2014 Microbeam analysis - EMSA MAS standard file format for spectral-data exchange (ISO 22029 2012)《微束分析 光谱数据交换用EMSA MAS标准文件格式 (ISO 22029-2012)》.pdf

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1、May 2014 Translation by DIN-Sprachendienst.English price group 10No part of this translation may be reproduced without prior permission ofDIN Deutsches Institut fr Normung e. V., Berlin. Beuth Verlag GmbH, 10772 Berlin, Germany,has the exclusive right of sale for German Standards (DIN-Normen).ICS 71

2、.040.50; 35.040!%1L“2149541www.din.deDDIN ISO 22029Microbeam analysis EMSA/MAS standard file format for spectral-data exchange(ISO 22029:2012),English translation of DIN ISO 22029:2014-05Mikrobereichsanalyse EMSA/MAS-Standard-Dateiformat fr den Datenaustausch von Spektren(ISO 22029:2012),Englische b

3、ersetzung von DIN ISO 22029:2014-05Analyse par microfaisceaux Format de fichier standard EMSA/MAS pour change de donnes spectromtriques(ISO 22029:2012),Traduction anglaise de DIN ISO 22029:2014-05www.beuth.deDocument comprises 14 pagesIn case of doubt, the German-language original shall be considere

4、d authoritative.05.14 Contents PageNationale f oreword 3Introduction 41 Scope . 52 General considerations 53 Format description. 63.1 General . 63.2 Required keywords . 73.3 Spectral data 83.4 Optional keywords . 93.5 Ending a file 124 Example of a data file in the EMSA/MAS spectral format 12Bibliog

5、raphy 14A comma is used as the decimal marker. DIN ISO 22029:2014-05 2fNational foreword This document (ISO 22029:2012) has been prepared by Technical Committee ISO/TC 202 “Microbeam analysis” (Secretariat: SAC, China). The responsible German body involved in its preparation was the Normenausschuss

6、Materialprfung (Materials Testing Standards Committee), Working Committee NA 062-08-18 AA Elektronenmikroskopie und Mikrobereichsanalyse. Attention is drawn to the possibility that some of the elements of this document may be the subject of patent rights. DIN and/or DKE shall not be held responsible

7、 for identifying any or all such patent rights. As opposed to ISO 22029:2012, in the German version of this text the decimal point is always used with the keywords #NCOLUMNS and #NPOINTS and is only deleted at the end of sentences to avoid two consecutive points. DIN ISO 22029:2014-05 3IntroductionT

8、he original EMSA/MAS Standard File Format for Spectral Data Exchange was published in October 1991. Since then, advances in both microbeam analysis techniques and in PC technology have meant that this original standard is not fully able to meet modern requirements. The members of ISO/TC 202 (the Int

9、ernational Organization for Standardization Technical Committee for Microbeam Analysis) propose this updated version. Every effort has been made to only make those changes that improve or update the applicability of the standard, while minimizing incompatibility with the original version. The remit

10、of TC 202 does not include surface analysis techniques, which are addressed by TC 201, and so references to these techniques have been removed from the original standard where necessary. The original document also included examples of coding and telecommunications protocols. Since these are now larg

11、ely outdated, and not integral to the formatting of the data, these have also been removed.It is noted that one of the originating societies (EMSA) has modified its name since the original document was published. The society is now officially known as the “Microscopy Society of America”, or MSA, the

12、 term “Electron” having been dropped to more fully indicate the work and interest of the membership of the society in all forms of microscopy.DIN ISO 22029:2014-05 4Microbeam analysis EMSA/MAS standard file format for spectral-data exchange1 ScopeThis International Standard presents a simple format

13、for the exchange of digital spectral data that has been designated as an EMSA/MAS standard. This format is readable by both humans and computers and is suitable for transmission through various electronic networks, the phone system (with modems) or on physical computer storage devices (such as remov

14、able media). The format is not tied to any one computer, programming language or computer operating system. The adoption of a standard format would enable different laboratories to freely exchange spectral data, and would help to standardize data analysis software. If equipment manufacturers were to

15、 support a common format, the microscopy and microanalysis community would avoid duplicated effort in writing data analysis software.2 General considerationsThe virtues of a single standard data format have been admirably related by various authors1,2,3,4. It would often be convenient, after visitin

16、g another laboratory to use a different type of microanalytical spectrometer, to be able to return to ones own laboratory to analyse the data, or for a laboratory to be able to send a spectrum to another group at another location for analysis on their computer. A common format would also enable test

17、 spectra to be transported between data acquisition systems, in order to compare different data analysis routines, and would give users greater choice of analysis procedure, based on commercial or public-domain software.Obviously, an ideal solution would be for the manufacturers to represent data in

18、 a standard format, but they are unlikely to agree on this without some direction from their customers (the microanalysis community). Therefore it is highly desirable for EMSA and MAS to proceed with the adoption of a standard format. Such a format does not preclude any research group or manufacture

19、r from having their own, possibly proprietary, format. Spectral data can be stored internally in any format, as long as there is an option to convert it to the external standard (and vice versa) for the purposes of exchange. We believe that a standard format should possess the following attributes:a

20、) It should be capable of representing the data exactly (without altering the scientific content).b) The format should be simple and easy to use.c) It must NOT be tied to any particular computer, programming language or operating system. It should work on a large number of computers of all sizes, al

21、though we cannot guarantee that it will work on all possible computers.d) The format should be both human and machine (computer) readable.e) It should be compatible with existing electronic communication networks and with the phone system (using modems). Future networks will likely retain compatibil

22、ity with these.f) The format should support spectra of interest to the microanalysis community (such as XEDS, EELS, AES) and should be flexible enough to accommodate future data sets not yet specified.g) Each file should contain enough information to uniquely identify the type and origin of the spec

23、tral data and to reconstruct its significance.h) Where possible, the format should be compatible with various commercial data plotting or analysis programs (i.e. spreadsheets, or graphical-analysis packages).DIN ISO 22029:2014-05 5i) The proposed format need not be the most efficient storage mechani

24、sm. Its primary goals, stated above, will generally prevent storage efficiency. If anything, this format will err on the side of simplicity and ease of use.The format originally employed by the Electron Microscopy and Microanalysis Public Domain Library (EMMPDL) at Argonne1has the virtue of simplici

25、ty, but is too rigid for general use. A recent revision5corrected some inadequacies, but a more serious re-examination is in order. The format proposed by a previous EMSA task force3,4addresses many of the problems, but is thought by some microscopists to be too complicated for everyday use. The VAM

26、AS format, whose description6runs to 60 pages, is also too complex for our perceived purpose. A format, named JCAMP-DX, used by the infrared-spectroscopy community2is specific and detailed, but is somewhat off target for the spectroscopies of interest to our community.The format proposed here follow

27、s JCAMP-DX in many ways, but is less complicated and has features tailored to X-ray, energy-loss and Auger spectroscopies. We circulated a preliminary version of this proposal to several manufacturers of XEDS systems and have received back comments and suggestions, many of which have been incorporat

28、ed into this document.The companion problem of a standard format for digital-image storage is similar to that of spectral data, but is sufficiently different to warrant its own standard. Whereas most spectra are sufficiently compact that they can be stored in a human-readable form, image data are us

29、ually so extensive as to require storage of “raw” binary numbers. There exist formats for image storage that are in widespread use. One of these (probably TIFF) should be endorsed by EMSA and MAS, allowing the microanalysis community to take advantage of the large amount of commercial and public-dom

30、ain software already available. 3 Format description3.1 GeneralThe general structure of the data file format can be summarized as a simple sequential text file. It begins with a series of header lines which serve to define the characteristics of the spectrum. These header lines are identified by uni

31、que keyword fields which occupy the first 15 positions of each line, followed by a data field. These are described in detail below. After the header lines, a keyword indicates the start of data, and the data then follow on successive lines in a manner which is defined explicitly within the header. F

32、inally, after all the data are presented, an end-of-data keyword indicates that the data set is complete. This is diagrammatically illustrated below:Header lines * * Successive lines beginning with EMSA/MAS-defined keywords, some of which are required and some are optional * * Start-of-data keyword

33、* * Experimental data * * End-of-data keywordIn general, each line of the file either contains a keyword and its associated value or spectral data. All header lines are readily identified as they each begin with “#” in the first character field or column. This symbol demarks the start of a 13 charac

34、ter keyword field, providing descriptive information about the data followed by an associated value. EMSA/MAS-defined keywords (whose definition may be changed only by EMSA/MAS) begin with a single # and occupy the first 13 columns (characters) of each header line. The keyword itself consists of at

35、most 12 characters, which directly follow the #. Shorter DIN ISO 22029:2014-05 6keywords may be employed, and any remaining spaces following the defined keyword may be filled with descriptive text such as unit designation for ease of legibility when the file is printed (see example in Table 1). If a

36、 position in the keyword field is not used, it must be filled with a space character. The keywords are not case-sensitive, so that #Xunits is interpreted as being the same as #XUNITS.The 14th and 15th character positions (columns) in each header line are occupied by keyword/value field separators, w

37、hich consist of a colon followed by a space. The value associated with each keyword starts in column 16 and may be either textual or numeric as defined by the keyword. Each line of the file may contain no more than 79 characters (for compatibility with the largest number of computers and computer ne

38、tworks, and for general legibility on standard-width CRT screens). Since the keyword and its separator occupies the first 15 positions, this means that all remaining information following the keyword is limited to a maximum of 64 (= 79 15) character positions. The end-of-line indicator is a carriage

39、 return/linefeed combination ().The only characters allowed in the file, except where explicitly stated, are the space (ASCII character 32), carriage return (ASCII character 13) and linefeed (ASCII character 10) characters, plus the printable ASCII character set given below:!”#$%? (ASCII characters

40、33 - 64) ABCDEFGHIJKLMNOPQRSTUVWXYZ (ASCII characters 65 - 90) abcdefghijklmnopqrstuvwxyz (ASCII characters 97 - 122) _| (ASCII characters 91 - 96, ASCII 123 - 126)Horizontal TAB characters are NOT permitted in this file format as a substitute for spaces or commas. Examples of keywords, separators a

41、nd data can be found in Table 1, and are further detailed below. The file should be named using the extension .TXT, .EMSA or .MSA.3.2 Required keywordsThe following keywords are required and must appear at the beginning of the file, in the order specified below. Although some of these may appear arb

42、itrary, it is our judgment that they fulfil a long-term need. After several years of students and outside users passing through a laboratory, the result can be a vast number of data files of unknown origin. Unless some adequate form of labelling is imposed from the start, many worthwhile data files

43、are lost, and useless data sit on a disc taking up valuable space. With the following minimum subset of keywords, it should be possible to reconstruct the significance of most spectra.Note that there must be exactly one of each required keyword, except for the keyword #TITLE which must appear at lea

44、st once but may, at the users discretion, appear more than once to provide an extended-length title.Required keywords:#FORMAT = Character string identifies this format as “EMSA/MAS spectral data file”.#VERSION = File format version number (TC202v2.0 for this implementation).#TITLE = Gives a short de

45、scription of the spectra. One or more per file. Max. = 64 characters.#DATE = The calendar day-month-year in which the spectra were recorded, with the month in letters and the day and year in numbers in the form: DD-MMM-YYYY. For example, 07-JUL-2010.#TIME = The time of day at which the spectrum was

46、recorded, in 24-hour format: HH:MM.#OWNER = The name of the person who recorded the spectrum.DIN ISO 22029:2014-05 7#NPOINTS = Total number of data points in X & Y data arrays 1. NPOINTS. The original EMSA standard set an upper limit of 4096. This was considered to be too restrictive and unnecessary

47、 for modern computer systems.#NCOLUMNS = Number of columns of data 1. NCOLUMNS 1 are not used since multicolumn formats cause problems when importing data into spreadsheet packages. They were originally intended to make more efficient use of space on teletype printouts of data files.#XUNITS = Units

48、for X-axis data, for example: eV.#YUNITS = Units for Y-axis data, for example: counts.#DATATYPE = Method in which the data values are stored: Y-axis-only values or X,Y data pairs. The current options are the characters Y and XY.#XPERCHAN = The number of X-axis units per channel.#OFFSET = A real (but possibly negative) number representing value of channel one in the same units as #XUNITS.#SPECTRUM = Indicates that the next line starts the spectral data.#ENDOFDATA = Indicates the end of the data file.3.3 Spectral dataThe

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