1、BRITISH STANDARD BS ISO 22048:2004 Surface chemical analysis Information format for static secondary-ion mass spectrometry ICS 71.040.40 BS ISO 22048:2004 This British Standard was published under the authority of the Standards Policy and Strategy Committee on 31 March 2005 BSI 31 March 2005 ISBN 0
2、580 45715 X National foreword This British Standard reproduces verbatim ISO 22048:2004 and implements it as the UK national standard. The UK participation in its preparation was entrusted to Technical Committee CII/60, Surface chemical analysis, which has the responsibility to: A list of organizatio
3、ns represented on this committee can be obtained on request to its secretary. Cross-references The British Standards which implement international publications referred to in this document may be found in the BSI Catalogue under the section entitled “International Standards Correspondence Index”, or
4、 by using the “Search” facility of the BSI Electronic Catalogue or of British Standards Online. This publication does not purport to include all the necessary provisions of a contract. Users are responsible for its correct application. Compliance with a British Standard does not of itself confer imm
5、unity from legal obligations. aid enquirers to understand the text; present to the responsible international/European committee any enquiries on the interpretation, or proposals for change, and keep the UK interests informed; monitor related international and European developments and promulgate the
6、m in the UK. Summary of pages This document comprises a front cover, an inside front cover, the ISO title page, pages ii to v, a blank page, pages 1 to 10, an inside back cover and a back cover. The BSI copyright notice displayed in this document indicates when the document was last issued. Amendmen
7、ts issued since publication Amd. No. Date Comments Reference number ISO 22048:2004(E) OSI 4002INTERNATIONAL STANDARD ISO 22048 First edition 2004-08-15 Surface chemical analysis Information format for static secondary-ion mass spectrometry Analyse chimique des surfaces Protocole de linformation pour
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13、O 4002 Allr ithgsr esedevrBSISO22048:2004IS:84022 O4002(E) I SO 4002 All irthgs ersedevr iiiContents Page Foreword iv Introduction v 1 Scope 1 2 Normative references . 1 3 Terms, definitions and conventions . 1 4 Symbols (and abbreviated terms) . 1 5 Description of information format. 2 5.1 General.
14、 2 5.2 Additional rules and definitions 3 5.3 The format 4 5.3.1 Content of the information format. 4 5.3.2 Definition of items in the format 5 Annex A (informative) Examples of formatted data 7 A.1 Example of data acquired using a time-of-flight mass spectrometer . 7 A.2 Example of data acquired us
15、ing a magnetic sector mass spectrometer 8 A.3 Example of data acquired using a quadrupole mass spectrometer 8 Bibliography . 10 BSISO22048:2004IS:84022 O4002(E) iv I SO 4002 All irthgs ersedevrForeword ISO (the International Organization for Standardization) is a worldwide federation of national sta
16、ndards 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 be represented on that committee. International or
17、ganizations, 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 Standards are drafted in accordance with the rules give
18、n in the ISO/IEC Directives, Part 2. The main task of technical committees is to prepare International Standards. 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 7
19、5 % of the member bodies casting a vote. Attention is drawn to the possibility that some of the elements of this document may be the subject of patent rights. ISO shall not be held responsible for identifying any or all such patent rights. ISO 22048 was prepared by Technical Committee ISO/TC 201, Su
20、rface chemical analysis, Subcommittee SC 3, Data management and treatment. BSISO22048:2004IS:84022 O4002(E) I SO 4002 All irthgs ersedevr vIntroduction ISO 14976 provides a digital data transfer format for surface chemical analysis. That format provides basic information about the data acquisition,
21、but data required for calibration does not specifically include certain detailed aspects necessary to interpret static secondary-ion mass spectrometry (static SIMS) data. That format also contains the spectral data and information about the abscissa increment and its value in the spectrum. Additiona
22、l data, such as the mass scale calibration data are assembled into information packages with a defined format to be transmitted either within a file conforming to ISO 14976 or separately. In this way, information formats for AES and XPS have been defined in ISO 14975 1 . For static SIMS, it is impor
23、tant to be able to store and transfer the data, as acquired, for instance using the time-of-flight time scale. Each spectrum then needs associated calibration parameters to convert the time scale to a mass scale, where the mass increment in the spectrum varies with mass. The information format defin
24、ed here contains these data and can be inserted into the block comment lines of ISO 14976. This format is designed to work with ISO 14976 in such a way that software designed to read the latter functions correctly with this information package added. This International Standard is therefore suppleme
25、ntary to and compatible with ISO 14976. The format is also compatible with ISO 14975 and follows a similar structure. BSISO22048:2004blank 4002:84022OSISBINTENRATIONAL TSANDADR IS:84022 O4002(E)I SO 4002 All irthgs ersedevr 1Surface chemical analysis Information format for static secondary-ion mass
26、spectrometry 1 Scope This International Standard provides a digital format to store, and transfer between computers, in a compact way, important calibration and instrumental-parameter data necessary to make effective use of spectral-data files from static SIMS instruments. This format is designed to
27、 supplement the data transfer format specified in ISO 14976. 2 Normative references The following referenced documents are indispensable for the application of this document. For dated references, only the edition cited applies. For undated references, the latest edition of the referenced document (
28、including any amendments) applies. ISO 14976, Surface chemical analysis Data transfer format 3 Terms, definitions and conventions For the purposes of this document, the terms and definitions given in ISO 14976 and the following terms and definitions apply, as well as the convention, stated at the en
29、d of this clause, concerning the use of the decimal sign. 3.1 package set of text lines which describes information about spectral data In conformance with common usage, the decimal sign is given as a point for all items or examples of verbatim computer entries although, in conformance with the ISO/
30、IEC Directives, Part 2, the decimal sign is given as a comma in the rest of the text. 4 Symbols (and abbreviated terms) A ToF calibration coefficient calibration coefficient for the term x 2in Equation (4) B ToF calibration coefficient calibration coefficient for the term x in Equation (4) calibrati
31、on constant in Equation (4) E ion energy in the flight path of a mass spectrometer, in electron volts BSISO22048:2004IS:84022 O4002(E) 2 I SO 4002 All irthgs ersedevrL total path length of the spectrometer, in metres u unified atomic mass unit M mass scale in units of u divided by the modulus of the
32、 charge number of the ion m mass of ion in units of M t measured arrival time referenced to the beam chopper T flight time of ion, in seconds t flight time offset, in seconds x abcissa increment (e.g. channel number, time or mass) SIMS secondary-ion mass spectrometry ToF time-of-flight 5 Description
33、 of information format 5.1 General This information format is designed to be inserted into the comment lines of the block in ISO 14976. Thus, extant software programmes, developed to read ISO 14976, will continue to work effectively. In the case of static SIMS using time-of-flight mass spectrometers
34、, the abscissa scale would have uniform time increments and the supplementary information will be in a human-readable form in the comment lines. Additionally, software designed to interpret the present information format will be able to convert the data to a calibrated mass scale and be able to calc
35、ulate additional parameters to assist analysts. This could have been done prior to transmission and storage of the data but, in that case, to retain optimum mass resolution, the whole spectrum would need to be interpolated to the smallest mass increment. That would lead to very large data files and
36、be unwieldy. In order to define the calibration parameters for the mass scale, a generic quadratic function, which encompasses most types of mass analyser, is used. In a time-of-flight mass spectrometer with an effective flight path of length L, the mass, m, of an ion with energy, E, along the fligh
37、t path is simply related to the measured arrival time referenced to the beam chopper, t, by 2 2 2( ) Ett m L = (1) where t is a delay offset to allow for the time taken for the primary ion to travel from the beam chopper to the sample. For a ToF system, two calibration coefficients are now defined,
38、where 2 2E A L = (2) and B t = (3) The mass, m, may now be described by a quadratic equation in terms of the abscissa increment, x, which may represent either time or channel number: 2 mxx =+ (4) BSISO22048:2004IS:84022 O4002(E) I SO 4002 All irthgs ersedevr 3where = A, = 2AB and = AB 2 . Whilst thi
39、s equation uses an extra non-independent coefficient, it does give the flexibility to describe the mass scale for most spectrometers. For example, a quadrupole spectrometer with a linear mass scale will have = 0 whereas a magnetic-sector mass spectrometer may require all three independent coefficien
40、ts. Thus, a three-term calibration, where one term may be zero, covers a wide range of instruments without the software having to read if/then choices. The mass scale calibration shall be calculated using the correct physical model appropriate to the spectrometer, such as Equation (1) for a ToF spec
41、trometer. In the above, it has been assumed that the ion has unit charge. In practice, this is generally true. However, a few ions are multiply charged. This increases E by the multiplicative factor so that the ion mass appears reduced by that factor. In using Equation (4), therefore, m represents t
42、he mass divided by the number of electrons representing the charge imbalance of the ion. We will denote this scale by units of “M”. Three archetypal examples of this format are given in Annex A. The first example is for a ToF SIMS instrument where the mass scale is non-linear in time and the absciss
43、a is recorded in channel numbers in the ISO 14976 file. The spectrometer mass calibration gives A = 3.683406219931798 10 9and B = 3.674421716518492 10 3which were used to calculate the calibration coefficients , and . The second example is for a magnetic-sector instrument with a non-linear mass scal
44、e which requires all three independent calibration coefficients. The third example is for a quadrupole instrument with an incorrect linear mass scale recorded in the ISO 14976 file due to instrument drift. Two calibration coefficients, and , are used to correct the mass scale. 5.2 Additional rules a
45、nd definitions carriage return: 7-bit ASCII character CARRIAGE RETURN followed by 7-bit ASCII character LINE FEED character: the character SPACE or any of the 94 graphic characters specified in the 7-bit ASCII character set The 94 graphic characters are: | | ! | “ | # | $ | % | | | ? | | A | B | C |
46、 D | E | F | 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 and
47、or “and”. integer: integer number followed by carriage return real number: decimal number or decimal number in exponential notation followed by carriage return text line: line of up to 80 characters If the value of any real number or integer in the format is not known, then 1E37 shall be entered. BS
48、ISO22048:2004IS:84022 O4002(E) 4 I SO 4002 All irthgs ersedevr5.3 The format 5.3.1 Content of the information format The static SIMS information format consists of the following items shown in bold, on contiguous lines of the text file. All items shall be present and in the order given. static SIMS instrumental-parameter information format identifier primary-ion mass primary-ion pulsed current primary-ion di
