Crystal Impact outlook to 2017
December 19, 2016
Before the year changes, we would like to take the opportunity to say thank you
for your interest in our software in 2016! Both new as well as established
customers have made it a very busy year for us again.
In the following we would like to give you a brief outlook what you
can expect from Crystal Impact in 2017:
20 year anniversary of Crystal Impact
Our software company was founded in November 1997 by Michael Berndt
and Klaus Brandenburg, so in 2017 we will already celebrate the 20th anniversary
of Crystal Impact, with occasional discounts or other activities throughout the
The next two updates 4.4 and 4.5 of Diamond are
scheduled for 2017:
The browser for the small database of approximately 100 most frequent
inorganic crystal structure types (with datasets from
Crystallography Open Database, COD), introduced in most recent
version 4.3, will be enhanced as well as prepared pictures will be
added to this database.
The recording of structure pictures to create video sequences from will
be improved. You will be able to delete unwanted or redundant
pictures from a picture buffer before Diamond starts the actual
creation of the AVI file.
Besides this, you can create
video sequences of POV-Ray pictures or create animated POV-Ray
pictures. (The latter means there are animation loop definitions in
the POV-Ray scene file itself.)
For a list of more functions to be included in subsequent minor updates 4.x of Diamond,
cf. "Diamond Version 4 New Functions".
For Match! we currently plan some interesting new features in 2017:
The basic aim of the very next version 3.4 will be to provide more and improved functionality for
"manual/direct identification": We have learnt that quite a lot of
Match! users do not rely on the search/match functionality, because
they already know (at least to a large degree) the phases that are
present in their samples. Instead, they would like to be able to
quickly add specific phases to the match list.
With the new version it will now be possible to add one or more entries directly to the match list, by pressing <Ctrl+E> and entering either the name,
the formula sum or the entry number. If more than a single entry matches your criterion,
a new dialog will be displayed in which you can select the entry(s) you would like
to add to the match list.
In version 3.4 we will also introduce so-called "manual entries". These
are entries in the match list that are not present in the reference
database but contain information entered from scratch. You can e.g.
quickly import a cif-file directly into such a manual match list
entry, or manually enter some unit cell parameters only, in order to
compare the resulting peak positions to your experimental diffraction pattern.
context, we will also add a connection between Match! and Endeavour:
From within Match!, it will become possible to run Endeavour and
transfer both the experimental peak data (or marked peaks) as well
as the (maybe incomplete) crystal structure data contained in a
manual entry. As a result, you will be able to process your raw
diffraction data with Match! first and then transfer the information
to Endeavour for structure solution afterwards.
In addition, a new command will
become available to mark all peaks that have not been assigned to
matching phases up to now. Another new command will run a
search-match based on marked peaks only.
3.4 is currently scheduled for release in January or February at the
During the second quarter of
2017 we hope to be able to release Match! version
3.5. This version will finally add the missing link between
raw data processing in Match! and structure solution in Endeavour,
by providing indexing of the unit cell parameters (with Treor or
Dicvol in the background).
for version 3.6 (to be released in the second half
of 2017) we already have some raw ideas, but details have not been
As has already been mentioned, we plan to have a more direct connection
between Match! and Endeavour in 2017, in order to provide the complete workflow
from raw powder diffraction data to structure solution.
We originally intended to release Endeavour 2 in November or December
2016, but unfortunately we were so busy that we had to postpone this new version
to 2017. In addition to the link to Match! mentioned above, Endeavour version
2 will contain the new update subscription model, provide an improved look-and-feel,
and replace the outdated "Winhelp" online help by a modern HTML-based system.
Pearson's Crystal Data
The next annual release 2017/18 of Pearson's Crystal
Data will become available in late summer 2017. In addition to thousands of new
entries, the new version will provide calculated I/Ic-values as well as some improvements
regarding that static and dynamic plots
functionality that has been added recently.
Our office will be closed from December 23 until January 1.
In urgent cases, please contact us by e-mail or fax.
We wish you a Merry Christmas and a Happy New Year!
Klaus Brandenburg and Holger Putz