ISO 14975-2000 Surface chemical analysis - Information formats《表面化学分析 信息格式》.pdf

1、Reference number ISO 14975:2000(E) ISO 2000 INTERNATIONAL STANDARD ISO 14975 First edition 2000-12-01 Surface chemical analysis Information formats Analyse chimique des surfaces Protocoles de linformationISO 14975:2000(E) PDF disclaimer This PDF file may contain embedded typefaces. In accordance wit

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4、y care has been taken to ensure that the file is suitable for use by ISO member bodies. In the unlikely event that a problem relating to it is found, please inform the Central Secretariat at the address given below. ISO 2000 All rights reserved. Unless otherwise specified, no part of this publicatio

5、n may be reproduced or utilized in any form or by any means, electronic or mechanical, including photocopying and microfilm, without permission in writing from either ISO at the address below or ISOs member body in the country of the requester. ISO copyright office Case postale 56 CH-1211 Geneva 20

6、Tel. + 41 22 749 01 11 Fax + 41 22 749 09 47 E-mail copyrightiso.ch Web www.iso.ch Printed in Switzerland ii ISO 2000 All rights reservedISO 14975:2000(E) ISO 2000 All rights reserved iii Contents Page Foreword.iv Introduction.v 1 Scope 1 2 Normative reference 1 3 Terms and definitions .1 4 Symbols

7、and abbreviated terms 1 5 Description of information formats2 Annex A (informative) Examples of specific entries in formats .8 Annex B (informative) Examples of formatted data.10 Bibliography17ISO 14975:2000(E) iv ISO 2000 All rights reserved Foreword ISO (the International Organization for Standard

8、ization) is a worldwide federation of national standards bodies (ISO member bodies). The work of preparing International Standards is normally carried out through ISO technical committees. Each member body interested in a subject for which a technical committee has been established has the right to

9、be represented on that committee. International organizations, governmental and non-governmental, in liaison with ISO, also take part in the work. ISO collaborates closely with the International Electrotechnical Commission (IEC) on all matters of electrotechnical standardization. International Stand

10、ards are drafted in accordance with the rules given in the ISO/IEC Directives, Part 3. Draft International Standards adopted by the technical committees are circulated to the member bodies for voting. Publication as an International Standard requires approval by at least 75 % of the member bodies ca

11、sting a vote. Attention is drawn to the possibility that some of the elements of this International Standard may be the subject of patent rights. ISO shall not be held responsible for identifying any or all such patent rights. International Standard ISO 14975 was prepared by Technical Committee ISO/

12、TC 201, Surface chemical analysis, Subcommittee SC 3, Data management and treatment. Annexes A and B of this International Standard are for information only.ISO 14975:2000(E) ISO 2000 All rights reserved v Introduction ISO 14976 provides a digital data transfer format for communicating surface chemi

13、cal analysis data. Since the importance of databases is increasing in many scientific fields, storage and manipulation of spectral data in databases have become necessary. The structure of ISO 14976 is suitable for communication, but database manipulation is quite different from data communication.

14、Information additional to that contained in ISO 14976 is necessary to handle the data in the databases, so this International Standard proposes three formats which define information packages for (1) specimen information, (2) calibration information and (3) data processing information, which are imp

15、ortant to manipulate spectral data in databases. The future compatibility of the format is essential. This format is designed to work with ISO 14976 so that software designed to read the latter will still function correctly with these information packages added. This International Standard, therefor

16、e, is supplementary to and compatible with ISO 14976. The motivation behind the choices made in defining the textual form of the data files described in this International Standard are important. To make it easy for programmers to implement the format reliably in new software, aspects of the Microso

17、ft Windows“ .INI” file structure are followed. Most modern computers have facilities to read and write this format from a wide range of computer languages via the Windows Application Programming Interface.INTERNATIONAL STANDARD ISO 14975:2000(E) ISO 2000 All rights reserved 1 Surface chemical analys

18、is Information formats 1 Scope This International Standard specifies a format to supplement ISO 14976 to transfer data for the creation, expansion and revision of a surface chemical analysis spectral database. The format is applied to Auger electron spectroscopy (AES) and X-ray photoelectron spectro

19、scopy (XPS) spectral data. 2 Normative reference The following normative document contains provisions which, through reference in this text, constitute provisions of this International Standard. For dated references, subsequent amendments to, or revisions of, any of these publications do not apply.

20、However, parties to agreements based on this International Standard are encouraged to investigate the possibility of applying the most recent edition of the normative document indicated below. For undated references, the latest edition of the normative document referred to applies. Members of ISO an

21、d IEC maintain registers of currently valid International Standards. ISO 14976, Surface chemical analysis Data transfer format. 3 Terms and definitions For the purposes of this International Standard, the following terms and definitions apply. 3.1 spectral database set of retrievable spectral data 3

22、.2 information information about specimens and/or the procedures of analyser calibration and/or data processing procedures and/or the information necessary to create spectral databases 3.3 package set of text lines which describe information on spectral data 4 Symbols and abbreviated terms CAS Chemi

23、cal Abstracts Service DTF data transfer format (as specified in ISO 14976) IUPAC International Union of Pure and Applied Chemistry N/A not applicableISO 14975:2000(E) 2 ISO 2000 All rights reserved 5 Description of information formats 5.1 General Information is inserted into the comment lines of the

24、 DTF or attached to the DTF as packages. As a result, the existing DTF could be used, without alteration, as a carrier for the information packages; these packages occupy the experiment-comment line or the block-comment lines in the DTF, or build blocks outside the DTF. With this structure, the read

25、ing program, which utilizes information packages, can look for the format identifiers in either the experiment-comment lines, where they apply to all blocks, or in the block-comment lines, where they apply to just one block, or outside the DTF. Existing reading programs would interpret these package

26、s as comments intended for human readers and ignore them. In this International Standard, the information packages for “specimen information format”, “calibration information format”, and “data processing format” are described. It is a modular structure so that compatibility with software previously

27、 written is always maintained. 5.2 Additional rules and definitions text line: up to 80 characters, followed by carriage return character: one alternative from the following set comprising the character SPACE and the 7-bit ASCII character set: | ! | “ | # | $ | % | | | ? | | A | B | C | D | E | F |

28、G | H | I | J | K | L | M | N | O | P | Q | R | S | T | U | V | W | X | Y | Z | | | | | _ | | a | b | c | d | e | f | g | h | i | j | k | l | m | n | o | p | q | r | s | t | u | v | w | x | y | z | | | | | where the vertical bar separates alternatives, given between quotation marks. carriage return:

29、 7-bit ASCII character CARRIAGE RETURN followed by 7-bit ASCII character LINE FEED multiple text lines: a set of text lines which identify one item The decimal sign is given as a point in the format items for computer entry and in examples of verbatim computer entries although, in conformance with t

30、he ISO/IEC Directives, Part 3, the decimal sign is given as a comma in the rest of the text.ISO 14975:2000(E) ISO 2000 All rights reserved 3 5.3 The formats 5.3.1 Structures 5.3.1.1 Contents of the specimen information package The specimen information package consists of the following items shown in

31、 bold, on contiguous lines of the text file. Bold items are defined in 5.3.2. All items shall be present and in the order given. specimen information format identifier host material IUPAC chemical name chemical abstracts registry number host material composition bulk purity known impurities structur

32、e form of product supplier lot number homogeneity crystallinity material family special material classes specimen mounting ex situ preparation in situ preparation charge control conditions specimen temperature comment on specimen information end of specimen information format identifierISO 14975:200

33、0(E) 4 ISO 2000 All rights reserved 5.3.1.2 Contents of calibration information package The calibration information package consists of the following items shown in bold, on contiguous lines of the text file. Bold items are defined in 5.3.2. All items shall be present and in the order given. calibra

34、tion information format identifier energy scale calibration intensity scale calibration resolution calibration end of calibration information format identifier 5.3.1.3 Contents of data processing information package The data processing information package consists of the following items shown in bol

35、d, on contiguous lines of the text file. Bold items are defined in 5.3.2. All items shall be present and in the order given. data processing information format identifier data-handling procedure end of data processing information format identifier 5.3.2 Definition of the items in the formats 5.3.2.1

36、 Specimen information format Items in bold not defined here are defined in 5.2. Texts in italic characters enclosed by quotation marks are used to code the format, although they do not appear in italics in the formatted data. IUPAC nomenclature and CAS registry number are referred to to code the for

37、mat. specimen information format identifier is the text line: “ISO_Specimen_Information_Format_1998_October_15” host material is a text line. This text line starts with “host_material=”, followed by a generic description of the specimen. For layered structures, the host material is the “bulk” substa

38、nce near the surface. IUPAC chemical name is a text line. This text line starts with “IUPAC_chemical_name=”, followed by the IUPAC chemical name of the host material or, if there is no specification, followed by “none”, “unknown” or “N/A”. chemical abstracts registry number is a text line. This text

39、 line starts with “chemical_abstracts_registry_number=”, followed by the CAS registry number of the host material or, if there is no specification, followed by “none”, “unknown” or “N/A”. host material composition is a text line. This text line starts with “host_material_composition=”, followed by t

40、he list of the principal elements present or the chemical formula. When the principal elements names are used, the composition is given by a real number followed by “mass%” or “atomic%”. If the composition cannot be specified, use “-” instead of a real number. bulk purity is a text line. This text l

41、ine starts with “bulk_purity=”, followed by the purity of the material and guarantor (if possible) or, if there is no specification, followed by “unknown” or “N/A”. The purity is given by a real number, and the units acceptable are mass% and atomic%. The units shall be given. An expression like “4N”

42、 is not acceptable.ISO 14975:2000(E) ISO 2000 All rights reserved 5 known impurities is a text line. This text line starts with “known_impurities=”, followed by the impurity name(s), concentration(s) and guarantor (if possible) or, if there is no specification, followed by “none”, “unknown” or “N/A”

43、. The units acceptable are as follows: mass%, atomic%, ppm, ppb, atoms/cm3, and atoms/cm2. The units shall be given. structure is a text line. This text line starts with “structure=”, followed by information such as a description of the crystal lattice and orientation, e.g. hexagonal close-packed, a

44、nd/or comments such as fracture surface at grain boundary, etc., or, if there is no specification, followed by “unknown” or “N/A”. form of product is a text line. This text line starts with “form_of_product=”, followed by the form of the product that the specimen is used for or, if there is no speci

45、fication, followed by “unknown” or “N/A”. supplier is a text line. This text line starts with “supplier=”, followed by the name of the manufacturer and/or supplier of the host material or by a reference to how the host was made or, if there is no specification, followed by “unknown” or “N/A”. lot nu

46、mber is a text line. This text line starts with “lot_number=”, followed by the code that identifies the production run, etc., or, if there is no specification, followed by “unknown” or “N/A”. homogeneity is a text line. This text line starts with “homogeneity=”,f o l l o w e db y“homogeneous” or “in

47、homogeneous” or “unknown” or “N/A” or another description of the homogeneity of the specimen if none of these is appropriate. This may be followed by a comment, provided the comment is preceded by “;”. crystallinity is a text line. This text line starts with “crystallinity=”,fo l l o w e dby“single”

48、 (single crystal, together with Miller indices of the surface connected by “_”)o r“poly” (polycrystalline) or “amorphous” or “unknown” or “N/A” or another description of the crystallinity of the specimen if none of these is appropriate. This may be followed by a comment, provided the comment is preceded by “;”. material family is a text line. This text line starts with “material_family=”,f o l l o w e db y“metal” or “inorganic” (inorganic compound) or “organic” (organic compound) or “polymer” or “semi ” (semiconductor) or “bio” (