ISO 22048:2004

Surface chemical analysis — Information format for static secondary-ion mass spectrometry

ISO 22048:2004 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 supplement the data transfer format specified in ISO 14976.

Analyse chimique des surfaces — Protocole de l'information pour la spectrométrie de masse des ions secondaires (SIMS) en mode statique

General Information

• Status: Published
• Publication Date: 24-Aug-2004
• ICS: 71.040.40 - Chemical analysis
• Technical Committee: ISO/TC 201/SC 3 - Data management and treatment
• Drafting Committee: ISO/TC 201/SC 3 - Data management and treatment
• Current Stage: 9093 - International Standard confirmed
• Completion Date: 19-Aug-2021

Standards Content (Sample)

INTERNATIONAL ISO
STANDARD 22048
First edition
2004-08-15

Surface chemical analysis — Information
format for static secondary-ion mass
spectrometry
Analyse chimique des surfaces — Protocole de l'information pour la
spectrométrie de masse des ions secondaires (SIMS) en mode statique




Reference number
ISO 22048:2004(E)
©
ISO 2004

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ISO 22048:2004(E)
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ii © ISO 2004 – All rights reserved

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ISO 22048:2004(E)
Contents 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. 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 using a magnetic sector mass spectrometer. 8
A.3 Example of data acquired using a quadrupole mass spectrometer. 8
Bibliography . 10

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ISO 22048:2004(E)
Foreword
ISO (the International Organization for Standardization) 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 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 Standards are drafted in accordance with the rules given 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 75 % 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, Surface chemical analysis, Subcommittee
SC 3, Data management and treatment.
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ISO 22048:2004(E)
Introduction
ISO 14976 provides a digital data transfer format for surface chemical analysis. That format provides basic
information about the data acquisition, 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. Additional 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,
[1]
information formats for AES and XPS have been defined in ISO 14975 . For static SIMS, it is important 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 defined 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 supplementary to and compatible with ISO 14976. The format is also
compatible with ISO 14975 and follows a similar structure.

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INTERNATIONAL STANDARD ISO 22048:2004(E)

Surface chemical analysis — Information format for static
secondary-ion mass 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 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 (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 end 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/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
2
α calibration coefficient for the term x in Equation (4)
B ToF calibration coefficient
β calibration coefficient for the term x in Equation (4)
γ calibration constant in Equation (4)
E ion energy in the flight path of a mass spectrometer, in electron volts
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ISO 22048:2004(E)
L 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 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 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, 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 calculate 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 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 flight path is simply related to the
measured arrival time referenced to the beam chopper, t, by
2
2(Ett−∆)
m = (1)
2
L
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, where
2E
A = (2)
2
L
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
mx=+αβx+γ (4)
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ISO 22048:2004(E)
2
where α = A, β = −2AB and γ = AB . Whilst this 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 α = 0 whereas a magnetic-sector mass spectrometer may
require all three independent coefficients. 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 spectrometer.
In the above, i
...