Pearson's Crystal Data: Known Bugs
Changes in Release 2015/16
For Release 2015/16, the latest software version is version 1.9b, created on November 18, 2015. An update is available.
Changes in Release 2011/12
For Release 2011/12, the latest software version is version 1.5b,
created on June 11, 2012. An update
Changes in Release 2010/11
For Release 2010/11, the latest software version is version 1.4,
created on June 25, 2010. There is no update available.
Changes in Release 2009/10
For Release 2009/10, the latest software version is version 1.3d,
released on June 30, 2010. An update
Changes in Release 2008/9
For Release 2008/9, the latest software version is version 1.2d,
released on June 30, 2010. An update
Changes in Release 2007/8
For Release 2007/8, the latest software version is version 1.0g, released on
June 30, 2010. An update is available.
Known bugs in current version
Bugs that were found after September 15, 2015 are enhanced with yellow color. Comments from the developers are given in blue.
The two installation CDs use "HexaLock" copy protection system and may cause trouble
on some "non-mainstream" computer systems:
If you encounter one of the above mentioned problems, please contact
- If the computer where PCD is to be installed has a 64 bit desktop system, i.e.
Windows XP or Vista 64 bit edition, you need another set of CDs with a
special 64 bit version of the "HexaLock" system. Otherwise the "autostart.exe" program
on the first setup CD will fail.
- "HexaLock" causes trouble
on a special series of DVD drives, which makes it unable to install Pearson's Crystal
Data on your computer. (Reported by one customer.) [Oct 2, 2007]
- Another problem was encountered on a Windows 2003 Server system
where the "autostart.exe" on the first setup disk could not be started. [Jan 15,
- Under circumstances the options "Structure
picture", ..., "Diffraction diagram" on the 2nd page of the "Dossier creation assistant"
("Tools/Create dossier...") are not available, even if you mark the corresponding
checkboxes and/or run the "Advanced settings..." dialog. The structure picture etc.
do not appear in the dossier. The next time you run the dossier creation assistant,
these options are again not checked, although the program should have registered
the latest settings. [Feb 22, 2008]
Workaround: Open the Windows registry (run "regedit" from
the Windows Start menu), go to the branch "HKEY_CURRENT_USER\Software\ASM International\Pearson's
Crystal Data\Dossier" and delete all dossier settings by clicking with the right
mouse button on "Dossier" in the left tree and choosing the "Delete" command from
the context menu. The next time you start Pearson's Crystal Data, it will use default
settings for dossier.
- Structure Tidy / Unit Cell Reduction and Standardization:
- Currently, unit cell reduction and standardization calculations (that use the program
"Structure Tidy") currently cannot be operated on 64-bit Windows platforms, because
the current version of "Structure Tidy" is not compatible to these operating systems. [Dec 15, 2014]
We are currently in contact with the software developers of "Structure Tidy"
in order to try to get/compile a more recent version of the software that also works on Windows
64-bit operating systems.
Bugs resolved in version 1.5b
PCD software version 1.5b was released on June 11, 2012. The following bugs affect
only release 2011/12:
- Search for elements with oxidation numbers:
Most of oxidation numbers (of cations, especially d-elements) were not accessible
for search. ("Quick search" dialog or "Selection criteria" dialog, "Chemical composition"
- Anisotropic displacement parameters:
The data sheet did not differentiate, if multiple types of anisotropic displacement
parameters appeared in one and the same table, e.g. some atom sites use B (or beta),
some other 2B (or 2beta, rsp.)
- Search for distances or atomic environments:
In some quest dialogs, e.g. "Include entries with assigned coordinates", there were
two choices: "Yes" and "No"- but neither "Yes" nor "No" readable.
- Quest dialog for atomic environments:
The quest dialog for the search for atomic environments showed some wrong "most
frequently occurring atomic environments". ("Search" -> "Selection criteria",
"Atomic environment" page.)
Bugs resolved in version 1.5a
PCD software version 1.5a was released on December 5, 2011. The following bugs affect
only release 2011/12:
- Search for "Journal":
When you run the Quest box for
the search field "Journal", the list of journal full names and codens is empty.
(This happens in both "Quick search" and "Selection criteria" dialog.)
- Links to related databases:
The link to the original publication via "Crossref" is not more available but leads
to an error page "The login you supplied is not recognized." (The username and password
for PCD is not more accepted.)
Changes made in versions 1.0g, 1.2d, and 1.3d, rsp.
PCD software versions 1.0g, 1.2d, and 1.3d were released on June 30, 2010.
The cross-reference link in the data sheet to the ASM Alloy Phase Diagrams Center
has been updated due to a change of the URL syntax.
Bugs resolved in versions 1.0f, 1.2c, and 1.3c, rsp.
PCD software versions 1.0f, 1.2c, and 1.3c were released on May 31, 2010.
- Severe bug: PCD software could hang up when "too many" elements
were selected in the periodic system of elements used on "Quick search" or "Selection
criteria" dialog and the user called the context menu to select
entries with given element plus oxidation number, e.g. "Fe(+3)". ("Too many" means
more than 10 combinations of element and oxidation number.)
- The execution of Lazy Pulverix (to calculate a powder pattern) and Structure Tidy
(crystal structure standardization or calculation of reduced cell) could fail on
some Windows systems because of blank characters in the path names of the temporary
files used for data exchange with the mentioned programs.
- Copyright notes on several views (e.g. data sheet bottom, printout footer, etc.)
have been updated.
- Powder pattern calculation failed for entries with atom sites having composition
"BH4" (boron with attached hydrogen atoms). This was mismatched with "Bh" (bohrium).
Besides this, the "4" was misinterpreted as oxidation number +4 when exporting such
an entry into Diamond format.
Bugs resolved in versions 1.0e, 1.2b, and 1.3b, rsp.
PCD software versions 1.0e, 1.2b, and 1.3b were released on November 27, 2009.
- Severe bug
Some users report that the program
does not start (no window or message at all, or it closes with a "Pearson's Crystal
Data has encountered a problem and needs to close" message). The probable cause
is a "language setting for non-unicode programs" that does not use "ANSI" character
code, i.e. not for languages that use Latin characters (English, German, French,
Spanish etc.). For example at least one user from U.S. who uses U.S. English Windows
but with "Region and Language" setting, "Language for non-unicode programs": "Chinese
(Simplified, PRC)". When he changes to "English (United States)" and reboots the
computer, it works okay. [Nov 16, 2009]
- Font problems
On Windows systems where the "support for non-unicode programs" (Region and Language
Settings) was set to a locale that does not use ANSI (like in most parts of Europe
and America), non-ASCII characters may have been rendered incorrectly, e.g. on "Chinese
simplified (P.R. China)" German umlauts (ä, ö, ü) appeared as Chinese characters
(and the subsequent character was swallowed, too). In some subscript in chemical
formulas, digits were replaced by '?'.
- Command "Edit/Modify entry..."
It was not possible (independent from locale) to edit non-ASCII characters. Now
these characters are converted into HTML tags for editing, e.g. "Müller" to "Müller").
- Entry report
(1) There were two columns available in the entry report configuration dialog named
"Formula (phase)", but one of them showed the phase prototype instead. (The actual
phase prototype column was already available showing the right title.)
(2) The latest "Default" entry report configuration was not restored when defining
searches with the "Quick search" dialog. (Though working correctly with e.g. "Selection
Changes made in versions 1.0d, 1.2a, and 1.3a, rsp.
PCD software versions 1.0d, 1.2a, and 1.3a were released on September 29, 2009.
The cross-reference link in the data sheet to Landolt-Boernstein has been updated
due to a change of the syntax on the Landolt-Boernstein server.
Bugs resolved in version 1.0c
PCD software version 1.0c was released on April 8, 2008.
- In some entries the address fields
got lost (authors, country, city, university,
department). These address fields could not be searched
for and they were not displayed in the data sheet. [Mar 28, 2008]
- Quick search/Selection criteria dialog
- Several minor bugs during selection
of multiple elements using the Ctrl key while clicking elements and/or groups/periods
in the Periodic System of Elements. [Apr 4, 2008]
- CIF export does not convert "_cell_measurement_wavelength"
from nm into Angstroems and does not export "_diffrn_radiation_wavelength" and "_diffrn_reflns_number".
[Apr 3, 2008]
- When you run "Launch Diamond" command
from the "Tools" menu, Diamond may not find the Diamond document, if the document's
file name and/or path contains blanks. (This is common, since the default location
is in the "My documents" folder.) [Mar 27, 2008]
- Diamond is not launched with structure
pictures of the atomic environments, when you run the "Launch Diamond" command from
an entry's distances and angles view. [Mar 27, 2008]
Bugs resolved in version 1.0b
PCD software version 1.0b was released on March 20, 2008.
- Quick search/Selection criteria dialog:
- When you try to select multiple elements
on the Composition page of the "Selection criteria" dialog or in the "Quick search" dialog,
using the Ctrl key, the elements are sometimes overwritten. If none of the "Element
n" input fields has the input focus, the clicked elements' symbols are not added
to these fields. [Mar 5, 2008]
- If you click a 5th element in the "Quick search" dialog or a 9th element in the
"Selection criteria" dialog, this element is written into the subsequent input field
that is not for elements but e.g. for element counts.
- Structure picture/Distances:
- Atom site labels longer than 7 characters
are truncated in structure picture as well as in distances and angles table.
- "Structure picture settings" dialog:
"Apply now" button does not work. [Mar 3, 2008]
- "Structure picture settings" dialog:
The "Defaults" button on the "Build" page does not work. "Defaults" button on "Settings"
page sets atom color scheme to "Wyckoff colors" rather than "Element colors". [Mar
- Super- or subscript characters in atom
site labels are given incorrect in info tip (showing short info about atom under
the mouse cursor) [Mar 3, 2008]
- The black-on-white mode option was ignored for screen output (but works for printer
- Several bugs and inconveniences concerning double-click in Next Neighbour Histogram
and structure picture update (polyhedra disappeared, atoms were connected although
not wanted, etc.).
- Powder pattern:
- No powder
pattern is calculated (and no error message is given) for entries
containing "D" (deuterium).
- A 3D structure picture may be exported
in a wrong way into Diamond format, especially when it contains mixed sites (e.g.
"M1" etc.). In Diamond atoms then appear at wrong positions and have wrong colors,
radii, etc. (Note for Diamond users: Update to
Diamond version 3.1f or higher, if not yet done so.)
- Structure type was not exported into Diamond format. If no author was given in the
entry, the latest field content appeared under author in Diamond.
- When you switch off the option "Store
linked files in a sub-directory" and you create more than one dossier in a directory,
the linked files of the first dossier will be overwritten by the linked files of
the second dossier, since they use the same name scheme.
- The atomic environment descriptions at top of the graphics were cut after the 7th
character, e.g. "Atomic environment of M1: octahed".
Bugs resolved in version 1.0a
PCD software version 1.0a was released on November 20, 2007.
- If no license file is available (most probably because end user did not copy his
or her individual license file to the target directory), PCD terminates with a crash
rather than regularly (just closing main window).
- Some users of PCD on Chinese MS Windows XP report that PCD does not start regularly
with a "...main database file... not found..." message box.
- A user of PCD on Japanese MS Windows XP reports that subscripts in e.g. the entry
report or phases list are cut at the bottom and thus hardly readable.
- PCD cannot locate the database files, if these are located in the same directory
as the main executable "pcd.exe". (This does not happen normally, because installation
writes database files into a sub-directory "database" of the PCD program directory.)
- Selection criteria and Quick search dialog:
- In searching data (Quick search or Selection criteria dialog), the "NOT" operator
(or eliminate option) does not work well. For example, "NOT:H" produces 149,985
entries, which is only one less than the total entries. Probably "NOT:X" works as
"eliminate the entries that are made of only X", but it should work as "eliminate
the entries that contain X". [Oct 8, 2007]
- Two polyhedron previews are missing in the "Atomic environment type" quest dialog.
Most of the previews use rather poor resolution. [Jul 18, 2007]
- Radii/volumes diagram:
- The size of diagram and list is calculated in a wrong way when you change the
size of the radii/volumes diagram window. This may also happen when you return from
a screen saver or have temporarily switched to another user and returned to your
account on your computer. [Jul 18, 2007]
- Symbols are not displayed in the list right beneath the checkboxes under MS Windows
Vista, so it is difficult to identify a datapoint in the diagram. [Jul 18, 2007]
- Phases list:
- Under MS Windows Vista, the headers of the phases list are not displayed or
rather incomplete. [Jul 18, 2007]
- If only selected rows are to be printed in a table (entry report, phases list,
distances table, reflection parameter table), no or less than the selected number
of rows is printed. [Sep 3, 2007]
- In the distances/angles table, the option "Selection" is not available in the "Print"
dialog. [Sep 3, 2007]
- Illegal characters are given for mixed sites when exporting a crystal structure
into CIF format for "_atom_site_label" ("File/Export/CIF"). [Sep 18, 2007]
- Site occupation factor is not considered when exporting a crystal structure
into Diamond format ("File/Export/Diamond document" and "Tools/Launch Diamond").
[Jul 31, 2007]
- Links to related databases:
- The link to Landolt-Börnstein for a given chemical system only leads to the
substance/property index page. [Oct 2, 2007]
- Since September 7, 2007, the link to the original publication via "Crossref" is not more available without account but leads to an error page "Requests without user credentials are no longer accepted.
Please sign up for a free openUrl account..." [Oct 2, 2007]
- Sometimes formulas (phase formula, prototype) are not sorted correctly, if they
consist of the same elements but vary in stoichiometry, e.g binary Cu-Se phases.
[Aug 28, 2007]
- Subscripts in atom site labels, e.g. "NH4", may not be displayed correctly
sheet as well as in structure picture or in table of distances. [Oct 1, 2007]