PAN-ICSD (PW3213) Release Notes

ICSD database version: 2012 - 1

Original contents: 150,042 entries
Release: Version 3.2
Release date: 20 - April - 2012
Date of release notes: 17 - April - 2012
(c) PANalytical B.V. 2012. All rights reserved.
This product contains the ICSD (Inorganic Crystal Structure Database) from FIZ-NIST in a special
package distributed exclusively by PANalytical. This database is made for and can only be used
in combination with HighScore (9430 032 09921) or HighScore Plus (9430 032 12921) from
PANalytical.
It requires at least version 3.0a from October 2010 or a higher version of HighScore or HighScore
Plus.
This product is based on release 1 / 2012 of the FIZ-NIST ICSD database. A total of 150,035
reference patterns is present, 147,977 patterns belong to the user-inorganics subfile, 27,635
patterns belong to the user-metallic subfile, 20,643 patterns belong to the user-mineral subfile
and 2,058 patterns belong to the user-organic subfile.
The differences between the original FIZ-NIST ICSD database and the PAN-ICSD database are:

1. The presence of the PAN-ICSD is automatically detected by HighScore or HighScore

2.
3.
4.
5.
6.
7.
8.
9.

Plus.
Note: Please switch off HighScore or HighScore Plus while installing the PAN-ICSD!
The PAN-ICSD has become a search-match (reference) database.
A direct link between reference patterns and corresponding structure data exists, there is
no need to export / import .CIF or .CRY files.
No time-limit on the PAN-ICSD (use as long as you like) license.
The PAN-ICSD is not bound to a single PC (usage on multiple PCs within one
department is possible, but customers need to obey to the restrictions for analysis
software from PANalytical).
Possibility to use it either in combination with ICDD PDF products or stand-alone.
No upgrades are available (only complete new releases are sold).
The retrieval software "FindIt" is not part of the PAN-ICSD, use HighScore (Plus)
reference pattern retrieval functions instead.
The PAN-ICSD now contains subfile information (User Inorganic, User Metallic, User
Mineral, User Organic).

Using the PAN-ICSD database is explained in the help system of HighScore (Plus) and in the
help file PANICSD.chm, which is in the installation directory of the PAN-ICSD database.

1.

Compatibility with previous SW versions

HighScore (Plus) v.3.0

The PAN-ICSD version 3.2 is incompatible with this release. Please get the free-of-charge patch
and upgrade your version 3.0 to version 3.0e or higher to use the latest release of the PAN-ICSD.

X'Pert HighScore (Plus) v.2.2a - e

The PAN-ICSD version 3.2 is incompatible with these releases.
X'Pert HighScore (Plus) v.2.0x, 2.1x
The PAN-ICSD database is incompatible with these previous releases of X'Pert HighScore
(Plus).
Original FIZ-NIST ICSD database
It is possible to run the original ICSD database next to the PAN-ICSD database on the same PC
when desired.
Previous releases of the PAN-ICSD database
You first need to remove a previous version of the PAN-ICSD before installing this version 3.2.
You can have only one version of the PAN-ICSD on a PC at a given time.

2.

Computer Operating System and

Hardware Requirements

Operating Systems
The PAN-ICSD database is designed and tested for the Windows XP 32-bit / Windows 7 64-bit
operating systems. It might run under Windows VISTA too, but this was never tested. The Internet
Explorer v.6.0 or higher is required to support XRDML files and to view the help system.
Recommended configuration
Operating system
Windows 7 64-bit professional operating system
Processor
Pentium 5 or compatible, 2 GHz (or faster)
Internal memory
2 Gbytes (2-4 Gbytes for simultaneous analysis of many scans as in
screening experiments)
Free hard disk space ~2 Gbytes
Monitor
Super VGA monitor (17 inch or more) with a desktop area of 1024*768
pixel.
Minimum configuration
To run the software a PC configuration that meets the (minimum) hardware requirements for the
Windows operation system will be sufficient.
For Windows XP Professional edition (32-bit), see
http://support.microsoft.com/kb/314865;
for Windows Vista Business edition (32-bit), see
http://support.microsoft.com/kb/919183;
for Windows 7 (64-bit) operating systems, see
http://windows.microsoft.com/en-us/windows7/products/system-requirements.

3.

Installation

3.1. Contents of the installation disk

The PAN-ICSD database is distributed on DVD.
It is necessary to install the PAN-ICSD on a hard disk, the database will not run directly
from the DVD.

The DVD contains the database and the help file.

Most of the files are available in archived format, ready for set-up.
You must have MS Internet Explorer v.6.0 or higher installed.
3.2. First Installation of the PAN-ICSD
The installation can be executed under the Windows XP 32-bit / Windows 7 64-bit operating
systems.
If Windows is already running, you better close all other applications before installing the PANICSD database.
ATTENTION:
You must have administrator rights in order to install the PAN-ICSD database under one of the
operating systems.
The general installation program for PANalytical Software will guide you through the installation of
all modules from the DVD.
Notes:

1. If your disk drive is not configured for "Autoinsert" notification, start "Setup.exe" from the
root folder on the DVD.

2. Select "Custom Installation" if you want to change the folder the software is installed in.
3. It is a good idea to defragment the target drive before installing the PAN-ICSD.
4. Since the PAN-ICSD can only be used in combination with the HighScore (PW3209) or
5.
6.

HighScore Plus (PW3212) software, no desktop icon is created. HighScore automatically

detects the presence of the PAN-ICSD.
Start menu items linking to the help file and to this ReadMe.rtf file are created during the
installation.
Do not forget to announce the use of this database for search-match and for structure
retrieval in the database manager of the HighScore (Plus) software.

3.3. Installation of a new version of PAN-ICSD / Reinstallation

If you have a former version of the PAN-ICSD on your PC, you should manually deinstall the
existing version first, before installing the new version.

4.

Differences with previous versions 1.0, 1.1, 1.2, 1.3, 1.4:

1. The database contents changed due to revisions and editing by FIZ / NIST.
2. From now on the PAN-ICSD is a search-match database as well.
3. It can be used in combination with HighScore (for search-match only) or with HighScore
Plus (for search-match and for crystal structural retrieval).

4. The reference numbers for existing structures are fixed now and do not change from
release to release.

5. The PAN-ICSD now contains subfile information (User Inorganic, User Metallic, User
Mineral, User Organic).

4.1 Differences with previous versions 3.0 and 3.1:

The database contents changed due to revisions and editing by FIZ / NIST.

5.

Known inconveniences

The following structures have no stick diagrams associated, because they could not be converted
into a reference pattern, but they can be opened with their collection code:
56190; No scattering data found for: T1

604531; No scattering data found for: T1

638518; No scattering data found for: T1
109003; No scattering data found for: ES1
109002; No scattering data found for: ES1
422376; Too many atoms for Rietveld module: 1561
422121; Too many atoms for Rietveld module: 1026