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sics/doc/user/tricsman.tex
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\begin{document}
\begin{center}
\begin{huge}
TRICS--Reference Manual \\
\end{huge}
Version November, 1998\\
Dr. Mark K\"onnecke \\
Labor f\"ur Neutronenstreuung\\
Paul Scherrer Institut\\
CH--5232 Villigen--PSI\\
Switzerland\\
\end{center}
\clearpage
\clearpage
\tableofcontents
\clearpage
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\chapter{The Four Circle Diffractometer TRICS}
\label{f0}
\section{Introduction}
The four circle diffractometer TRICS is used for the study of crystal structures
by neutron diffraction at single crystals. TRICS can be operated in two
modes: 1.) with a single counter very much like a traditional four circle
diffractometer and 2.) with three position sensitive detectors operating
like a oscillation camera as used by protein crystallographers. The second
option has not yet been implemented due to the unavailability of suitable
detectors and electronics. This manual describes the operation of TRICS
using the SICS software.
TRICS is situated at one of the beamlines for hot neutrons at the spallation
source SINQ at PSI, Switzerland. The incident beam first hits a
monochromator crystal. The selected wavelength is in principle fixed. A
monochromator lift with two monochromators and the possiblity to select
different reflections for diffraction at the monochromator however make it
possible to select between a few different neutron wavelength. The sample is
held in a standard eulerian cradle with the usual angles omega, chi and phi.
Up to three position sensitive detectors are held on a detector holder at
different angles in two theta. Or a single detector is fixed to this setup.
The three position sensitive detectors may be moved up and down on a sphere
around the sample. This allows to access different lattice planes when the
eulerian cradle has been replaced by some cryostat or other sample
environment devices to heavy to be used in conjunction with an eulerian
cradle.
The control of a four circle diffractometer requires a tight integration
between measurement procedures and specialized data anlaysis software. For
the actual control of the instrument, its movements and the actual
measurement of reflections the SICS software is provided. Preliminary data
analysis and special four circle calculations are done with a set of F77
programs. These are mostly programs which originate from the ILL, France.
Given this setup the rest of this manual logically has to have three parts:
\begin{itemize}
\item A general part (cf.\ Section~\ref{f1}) describing the principal
operation of the SICS software.
\item A chapter describing the operation of TRICS with a
single counter (cf.\ Section~\ref{f2}).
\item A chapter describing the operation of TRICS with
position sensitive (cf.\ Section~\ref{f3})
detectors.
\end{itemize}
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\chapter{General Operation of the SICS instrument control software}
\label{f1}
This chapter contains information about:
\begin{itemize}
\item Basic SICS concepts (cf.\ Section~\ref{f4})
\item Driving motors (cf.\ Section~\ref{f5})
\item Configuring motor parameters (cf.\ Section~\ref{f6}).
\item TRICS motor list (cf.\ Section~\ref{f7}).
\item Counting and monitors (cf.\ Section~\ref{f8}).
\item Sample Environment Device Control (cf.\ Section~\ref{f9}).
\item Log I/O to a client logfile (cf.\ Section~\ref{f10}) at the server, all
command output to a commandlog (cf.\ Section~\ref{f11}) or to your local
machine using the open log file option in the File menu of the
SICS command line client.
\item Doing batch processing using batch files (cf.\ Section~\ref{f12}) or the LNS
specific R\"unbuffer (cf.\ Section~\ref{f13}) system.
\item {\bf Interrupt} SICS by hitting the interrupt button near the bottom of
the SICS command line client.
\item How to perform crystallographic computations (cf.\ Section~\ref{f14}) online.
\item Some specialist commands for configuring certain aspects of your
client connection (cf.\ Section~\ref{f15}) and for in depth interaction with
the SICS server (cf.\ Section~\ref{f16}).
\end{itemize}
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\section{Basic SICS concepts}
\label{f4}
\subsection{General structure}
SICS is a client server system. The application the user sees is usually some form of client. A client has two tasks: the first is to collect user input and send it to the SICS server who will execute the command. The clients second task is to listen to the the server messages and display them in a readable format. This aoproach has two advantages: clients can reside on machines across the whole network thus enabling remote control from everywhere in the world. The second advantage is that new clients (such as graphical user interface clients) can be written in any feasible language without changes to the server.
\subsection{SICS Command Syntax }
SICS is an object oriented system. This is reflected in the command syntax. SICS objects can be devices such as motors or counters, variables such as wavelength or Title and measurement procedures. Communication with these objects happens by sending messages to the target object. This is very simply done by typing something like: object message par1 par2 .. parn. For example, if we have a motor called A1:\begin{verbatim}
A1 list
\end{verbatim}
will print a parameter listing for the motor A1. In this example no parameters were needed. There exist a number of one-word commands as well. For
compatability reasons some commands have a form which resembles a function call such as:\begin{verbatim}
drive a1 26.54
\end{verbatim}
This will drive motor a1 to 26.54. All commands are
ASCII-strings and usually in english. SICS is in general CASE INSENSITIVE.
However, this does not hold for parameters you have to specify. On a unix
system for instance file names are case sensitive and that had to be
preserved. Commands defined in the scripting language are lower case by
convention.
\subsection{Authorisation}
A client server system is potentially open to unauthorised hackers which might mess up the instrument and your valuable measurements. A known problem in instrument control is that less knowledgeable user accidentally change instrument adjustments which should better be left fixed. In order to solve these two problems SICS supports authorisation on a very fine level. As a user you have to specify a username and password in order to able to access SICS. Some clients already do this for you automatically. SICS support four levels of access to an instrument:
\begin{itemize}
\item {\bf Spy } may look at everything, request any value, but may not actually change anything. No damage potential here.
\item {\bf User } is privileged to perform a certain amount of operations necessary to run the instrument.
\item {\bf Manager } has the permission to mess with almost everything. A very dangerous person.
\item {\bf Internal } is not accessible to the outside world and is used to circumvent protection for internal uses. However some parameters are considered to be so critical that they cannot be changed during the runtime of the SICS-server, not even by Managers.
\end{itemize}
All this is stated here in order to explain the common error message: You are not authorised to do that and that or something along these lines.
\subsection{SICS variables}
Most of the parameters SICS uses are hidden in the objects to which they belong. But some are separate objects of their own right and are accessible at top level. For instance things like Title or wavelength. They share a common syntax for changing and requesting their values. This is very simple: The command {\em objectname } will return the value, the command {\em objectname newvalue } will change the variable. But only if the authorisation codes match.
\subsection{The SICS Command Line Client}
The most common client for controlling SICS is the {\bf SICS command line
client}.
This application can be started by typing the command:
\begin{verbatim}
sics &
\end{verbatim}
at the Unix prompt. Before this program is ready to collaborate with you you
have to connect it to an instrument using the options in the connect
pulldown menu. The screen is roughly divided in three areas: The top area
shows all input to and output from the server. The middle area shows the
command history. At the lower end is a text entry field which allows to type
commands to the SICS server. For more information about this client consult
the online help of this application.
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\section{Drive commands}
\label{f5}
Many objects in SICS are {\bf drivable }. This means they can run to a new value. Obvious examples are motors. Less obvious examples include composite adjustments such as setting a wavelength or an energy. This class of objects can be operated by the {\bf drive, run, Success } family of commands. These commands cater for blocking and non-blocking modes of operation.
{\bf run var newval var newval ... } can be called with one to n pairs of object new value pairs. This command will set the variables in motion and return to the command prompt without waiting for the requested operations to finish. This feature allows to do things to the instrument while perhaps a slow device is running into position.
{\bf Success } waits and blocks the command connection until all pending operations have finished (or an interrupt occured).
{\bf drive var newval var newval ... } can be called with one to n pairs of object new value pairs. This command will set the variables in motion and wait until the driving has finished. A drive can be seen as a sequence of a run command as stated above immediatetly followed by a Success command.
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\section{SICS motor handling}
\label{f6}
In SICS each motor is an object with a name. Motors may take commands which basically come in the form {\em motorname command }. Most of these commands deal with the plethora of parameters which are associated with each motor. The syntax for manipulating variables is, again, simple. {\em Motorname parametername } will print the current value of the variable. {\em Motorname parametername newval } will set the parameter to the new value specified. A list of all parameters and their meanings is given below. The general principle behind this is that the actual (hardware) motor is kept as stupid as possible and all the intracacies of motor control are dealt with in software. Besides the parameter commands any motor understands these basic commands:
\begin{itemize}
\item {\bf Motorname list } gives a listing of all motor parameters.
\item {\bf Motorname reset } resets the motor parameters to default values.
This is software zero to 0.0 and software limits are reset to hardware
limits.
\item {\bf Motorname position} prints the current position of the motor.
\item {\bf Motorname interest} initiates automatic printing of any position
change of the motor. This command is mainly interesting for implementors of
status display clients.
\end{itemize}
Please note that the actual driving of the motor is done via the drive (cf.\ Section~\ref{f5}) command.
\subsection{The motor parameters}
\begin{itemize}
\item {\bf HardLowerLim } is the hardware lower limit. This is read from the motor controller and is identical to the limit switch welded to the instrument. Can usually not be changed.
\item {\bf HardUpperLim } is the hardware upper limit. This is read from the motor controller and is identical to the limit switch welded to the instrument. Can usually not be changed.
\item {\bf SoftLowerLim } is the software lower limit. This can be defined by the user in order to restrict instrument movement in special cases.
\item {\bf SoftUpperLim } is the software upper limit. This can be defined by the user in order to restrict instrument movement in special cases.
\item {\bf SoftZero } defines a software zero point for the motor. All further movements will be in respect to this zeropoint.
\item {\bf Fixed } can be greater 0 for the motor being fixed and less
or equal than zero for the motor being movable.
\item {\bf InterruptMode } defines the interrupt to issue when the motor fails. Some motors are so critical for the operation of the instrument that all operations shall be stopped when there is a problem. Other are less critical. This criticallity is expressed in terms of interrupts, denoted by integers in the range 0 - 4 translating into the interrupts: continue, AbortOperation, AbortScan, AbortBatch and Halt. This parameter can usually only be set by managers.
\item {\bf Precision } denotes the precision to expect from the motor in positioning. Can usually only be set by managers.
\item {\bf AccessCode } specifies the level of user privilege necessary to operate the motor. Some motors are for adjustment only and can be harmful to move once the adjustment has been done. Others must be moved for the experiment. Values are 0 - 3 for internal, manager, user and spy. This parameter can only be changed by managers.
\item {\bf Speed }, defunct.
\item {\bf Sign } allows to reverse the operating sense of the motor. For cases where electricians and not physicists have defined the operating sense of the motor. Usually a parameter not to be changed by ordinary users.
\end{itemize}
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\section{TRICS Motors}
\label{f7}
This chapter has still to be defined as there is a war waging in LNS about
names. Final names will be entered after the end of hostilities. More then
one name may be stated as SICS supports aliases. For now,
you have to do with:
\begin{itemize}
\item OM = A3 = omega motion of the eulerian cradle.
\item CH = chi circle of the eulerian cradle.
\item PH = phi circle of the eulerian cradle
\item TH = A4 = two theta angle of the detector.
\end{itemize}
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\section{SICS counter handling}
\label{f8}
This section deals with the SICS interface to single counters.
Where the SICS counter concept may include several monitors per
counter. A counter is, again, a named object which takes commands.
A word or two has to be lost about the SICS handling of preset values for counters.
Two modes of operation have to be distinguished: counting until a timer has passed,
for example: count for 20 seconds. This mode is called timer mode. In the other
mode, counting is continued until a control monitor has reached a certain
preset value. This mode is called Monitor mode. The preset values in Monitor
mode are usually very large. Therefore the counter has an exponent data variable.
Values given as preset are effectively 10 to the power of this exponent. For
instance if the preset is 25 and the exponent is 6, then counting will be
continued until the monitor has reached 25 million. Note, that this scheme with
the exponent is only in operation in Monitor mode.
The commands understood are:
\begin{itemize}
\item {\bf countername SetPreset val } sets the counting preset to val.
\item {\bf countername GetPreset } prints the current preset value.
\item {\bf countername SetExponent val } sets the exponent for the counting
preset in monitor mode to val.
\item {\bf countername GetExponent } prints the current exponent used
in monitor mode.
\item {\bf countername SetMode val } sets the counting mode to val. Possible values are Timer for timer mode operation and Monitor for waiting for a monitor to reach a certain value.
\item {\bf countername GetMode } prints the current mode.
\item {\bf countername GetCounts } prints the counts gathered in the last run.
\item {\bf countername GetMonitor n } prints the counts gathered in the monitor number n in the last run.
\item {\bf countername Count preset } starts counting in the current mode and the the preset preset.
\item {\bf countername status } prints a message containing the preset and
the current monitor or time value. Can be used to monitor the progress of
the counting operation.
\item {\bf countername gettime } Retrieves the actual time the counter
counted for. This excludes time where there was no beam or counting was
paused.
\item {\bf countername getthreshold m} retrieves the value of the threshold
set for the monitor number m.
\item {\bf countername setthreshold m val} sets the threshold for monitor m
to val. WARNING: this also makes monitor m the active monitor for evaluating
the threshold. Though the EL7373 counterbox does not allow to select the
monitor to use as control monitor in monitor mode, it allows to choose
the monitor used for pausing the count when the count rate is below the
threshold (Who on earth designed this?)
\end{itemize}
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\section{ Sample Environment Devices}
\label{f9}
\subsection{SICS Concepts for Sample Environment Devices}
\label{f9:concept}
SICS can support any type of sample environment control device if there is a
driver for it. This includes temperature controllers, magnetic field controllers
etc. The SICS server is meant to be left running continously. Therefore there
exists a facility for dynamically configuring and deconfiguring environment
devices into the system. This is done via the {\bf EVFactory} command.
It is expected that instrument scientists will provide command procedures or
specialised R\"unbuffers for configuring environment devices and setting
reasonable default parameters.
In the SICS model
a sample environment device has in principle two modes of operation. The first
is the drive modus. The device is monitored in this modus when a new value for it
has been requested. The second modus is the monitor modus. This modus is entered
when the device has reached its target value. After that, the device must be
continously monitored throughout any measurement. This is done through the
environment monitor or {\bf emon}. The emon understands a few commands of its
own.
Within SICS all sample environement devices share some common behaviour
concerning parameters and abilities. Thus any given environment device
accepts all of a set of general commands plus some additional commands
special to the device.
In the next section the EVFactory, emon and the general commands understood
by any sample environment device will be discussed. This reading is mandatory
for understanding SICS environment device handling. Then there will be another
section discussing the special devices known to the system.
\subsection{SampleEnvironment Error Handling}
A \label{f9:error}sample environment device may fail to stay at its preset value during a
measurement. This condition will usually be detected by the emon. The question
is how to deal with this problem. The requirements for this kind of error
handling are quite differntiated. The SICS model therefore implements several
strategies for handling sample environment device failure handling.
The strategy to use is selected via variable which can be set by the user for
any sample environment device separatetly. Additional error handling strategies
can be added with a modest amount of programming. The error handling strategies currently
implemented are:
\begin{description}
\item[Lazy] Just print a warning and continue.
\item[Pause] Pauses the measurement until the problem has been resolved.
\item[Interrupt] Issues a SICS interrupt to the system.
\item[Safe] Tries to run the environment device to a value considered safe by the
user.
\end{description}
\subsection{General Sample Environment Commands}
\label{f9:general}
\subsubsection{EVFactory}
EVFactory is responsible for configuring and deconfiguring sample environment
devices into SICS. The syntax is simple:
\begin{description}
\item[EVFactory new name type par par ...] Creates a new sample environment device. It will be known to SICS by the
name specified as second parameter. The type parameter decides which driver to
use for this device. The type will be followed by additional parameters
which will be evaluated by the driver requested.
\item[EVFactory del name] Deletes the environment device name from the system.
\end{description}
\subsubsection{emon}
The environment monitor emon takes for the monitoring of an environment device
during measurements. It also initiates error handling when appropriate. The emon
understands a couple of commands.
\begin{description}
\item[emon list] This command lists all environment devices currently registered in the
system.
\item[emon register name] This is a specialist command which registers the environment device name
with the environment monitor. Usually this will automatically be taken care
of by EVFactory.
\item[emon unregister name] This is a specialist command which unregisters the environment device name
with the environment monitor. Usually this will automatically be taken care
of by EVFactory Following this call the device will no longer be monitored and
out of tolerance errors on that device no longer be handled.
\end{description}
\subsubsection{General
Commands UnderStood by All Sample Environment Devices}
\label{f9:all}
Please note that each command discussed below MUST be prepended with the name
of the environment device as configured in EVFavtory!
The general commands understood by any environment controller can be subdivided
further into parameter commands and real commands. The parameter commands just
print the name of the parameter if given without an extra parameter or
set if a parameter is specified. For example:
\begin{quotation}
Temperature Tolerance\end{quotation}
prints the value of the variable Tolerance for the environment controller
Temperature.
\begin{quotation}
Temperature Tolerance 2.0\end{quotation}
sets the parameter Tolerance for Temperature to 2.0. Parameters known to ANY
envrironment controller are:
\begin{description}
\item[Tolerance] Is the deviation from the preset value which can be tolerated before an
error is issued.
\item[ Access] Determines who may change parameters for this controller.
Possible values are:
\begin{itemize}
\item 0 only internal
\item 1 only Managers
\item 2 Managers and Users.
\item 3 Everybody, including Spy.
\end{itemize}
\item[LowerLimit] The lower limit for the controller.
\item[UpperLimit] The upper limit for the controller.
\item[ErrHandler.] The error handler to use for this controller. Possible values:
\begin{itemize}
\item 0 is Lazy.
\item 1 for Pause.
\item 2 for Interrupt
\item 3 for Safe.
\end{itemize}
For an explanantion of these values see the section about error (cf.\ Section~\ref{f9:error}) handling
above.
\item[ Interrupt] The interrupt to issue when an error is detected and Interrupt error
handling is set. Valid values are:
\begin{itemize}
\item 0 for Continue.
\item 1 for abort operation.
\item 2 for abort scan.
\item 3 for abort batch processing.
\item 4 halt system.
\item 5 exit server.
\end{itemize}
\item[SafeValue] The value to drive the controller to when an error has been detected and
Safe error handling is set.
\end{description}
Additionally the following commands are understood:
\begin{description}
\item[send par par ...] Sends everything after send directly to the controller and return its
response. This is a general purpose command which allows to manipulate controllers
and controller parameters directly. The protocoll for these commands is
documented in the documentation for each controller. Ordinary users should
not tamper with this. This facility is meant for setting up the device with
calibrartion tables etc.
\item[ list] lists all the parameters for this controller.
\item[ no command, only name.] When only the name of the device is typed it will return its
current value.
\item[ name val ] will drive the device to the new value val. Please note that the same
can be achieved by using the drive command.
\item[ name log on] Switches logging on. If logging is on, at each cycle in the emon the
current value of the environment variable will be recorded together with a
time stamp. Be careful about this, for each log point a bit of memory is
allocated. At some time the memory is exhausted! Log clear frees it again
and log frequency (both below) allows to set the logging time intervall.
\item[ name log off] Switches logging off.
\item[name log clear] Clears all recorded time stamps and values.
\item[name log gettime] This command retrieves a list of all recorded time stamps.
\item[name log getval] This command retrieves all recorded values.
\item[name log getmean] Calculates the mean value and the standard deviation for all logged
values and prints it.
\item[name log frequency val] With a parameter sets, without a parameter requests the logging intervall
for the log created. This parameter specifies the time intervall in seconds
between log records. The default is 5 minutes. A value of 0 means a record any
cycle of the SICServer.
\end{description}
\subsection{Special Environment Control Devices}
This section lists the parameters needed for configuring a special environment
device into the system and special parameters and commands only understood by
that special device. All of the general commands listed above work as well!
\subsubsection{ITC-4 and ITC-503 Temperature Controllers}
\label{f9:itc4}
These temperature controller are fairly popular at SINQ. It is manufactured by
Oxford Instruments. At the back side of this controller there is a RS-232
socket which must be connected to a Macintosh computer running the SINQ
terminal server program via a serial cable. Please make sure with a different
Macintosh or a PC that the serial line is OK and the ITC-4 responding before
plugging it in.
\paragraph{ITC-4 Initialisation}
An ITC-4 can be configured into the system by:
\begin{quotation}
EVFactory new Temp ITC4 computer port channel\end{quotation}
This creates an ITC-4 controller object named Temp within the system. The
ITC-4 is expected to be connected to the serial port channel at the
Macintosh computer computer running the SINQ terminal server program
listening at port port. For example:
\begin{quotation}
EVFactory new Temp ITC4 lnsp22.psi.ch 4000 6\end{quotation}
connects Temp to the Macintosh named lnsp22, serial port 5 (6 above is no typo!),
listening at port 4000.
\paragraph{ITC-4 Additional Parameters}
The ITC-4 has a few more parameter commands:
\begin{description}
\item[timeout] Is the timeout for the Macintosh terminal server program waiting for
responses from the ITC-4. Increase this parameter if error messages
containg ?TMO creeping up.
\item[ sensor] Sets the sensor number to be used for reading temperature.
\item[ control] Sets the control sensor for the ITC-4. This sensor will be used
internally for regulating the ITC-4.
\item[divisor] The ITC4 does not understand floating point numbers, the ITC-503 does.
In order to make ITC4's read and write temperatures correctly floating point
values must be multiplied or divided with a magnitude of 10. This parameter
determines the appropriate value for the sensor. Is usually 10 for a sensor
with one value behind the comma or 100 for a sensor with two values after
the comma.
\item[multiplicator] The same meaning as the divisor above, but for the control sensor.
\end{description}
\paragraph{Installing an ITC4 step by step}
\begin{enumerate}\item Connect the ITC temperature controller to port 6 on the Macintosh
serial port extension box. Port 6 is specially configured for dealing with
the ideosyncracies of that device. No null modem is needed.
\item Install the ITC4 into SICS with the command: \newline
evfactory new name Macintoshname 4000 7\newline
Thereby replace name with the name you want to address the ITC4 in SICS. A
good choice for a name is temperature, as such a value will be written to data files.
Please note, that SICS won't let you use that name if it already exists. For
instance if you already had a controller in there. Then the command:\newline
evfactory del name \newline
will help. Macintoshname is the name of the instrument Macintosh PC.
\item Configure the upper and lowerlimits for your controller appropriatetly.
\item Figure out which sensor you are going to use for reading temperatures.
Configure the sensor and the divisor parameter accordingly.
\item Figure out, which sensor will be used for controlling the ITC4. Set the
parameters control and multiplicator accordingly. Can be the same as the
sensor.
\item Think up an agreeable temperature tolerance for your measurement. This
tolerance value will be used 1) to figure out when the ITC4 has reached its
target position. 2) when the ITC4 will throw an error if the ITC4 fails to
keep within that tolerance. Set the tolerance parameter according to the
results of your thinking.
\item Select one of the numerous error handling strategies the control
software is able to perform. Configure the device accordingly.
\item Test your setting by trying to read the current temperature.
\item If this goes well try to drive to a temperature not to far from the
current one.
\end{enumerate}
\paragraph{ITC-4 Trouble Shooting}
If the ITC-4 {\bf does not respond at all}, make sure the serial connection to
the Macintosh is working. Use standard RS-232 debugging procedures for doing
this. The not responding may also come up as a failure to connect to the ITC-4
during startup.
If error messages containing the string {\bf ?TMO} keep creeping up followed
by all signs of command not understood, then increase the timeout. The standard
timeout of 10 microseconds is to short at times.
You keep on reading {\bf wrong values} from the ITC4. Mostly off by a
factor 10. Then set the divisor correctly. Or you may need to choose a
decent sensor for that readout.
Error messages when {\bf trying to drive the ITC4}. These are usually the
result of a badly set multiplicator parameter for the control sensor.
The ITC4 {\bf never stops driving}. There are at least four possible
causes for this problem:
\begin{enumerate}
\item The multiplicator for the control sensor was wrong and the ITC4 has now
a set value which is different from your wishes. You should have got error
messages then as you tried to start the ITC4.
\item The software is reading back wrong temperature because the sensor and
divisor parameters are badly configured. Try to read the temperature and if
it does have nothing to do with reality, set parameters accordingly.
\item The tolerance parameter is configured so low, that the ITC4 never
manages to stay in that range. Can also be caused by inappropriate PID
parameters in the ITC4.
\item
You are reading on one sensor (may be 3) and controlling on another one (may
be 2). Then it may happen that the ITC 4 happily thinks that he has reached
the temperature because its control sensor shows the value you entered as
set value. But read sensor 3 still thinks he is far off. The solution is to
drive to a set value which is low enough to make the read sensor think it is
within the tolerance. That is the temperature value you wanted after all.
\end{enumerate}
\subsubsection{Haake Waterbath Thermostat}
\label{f9:haake}
This is sort of a buck full of water equipped with a temperature
control system. The RS-232 interface of this device can only be operated at
4800 baud max. This is why it has to be connected to the serial printer port
of the Macintosh serial port server computer. This makes the channel number to
use for initialisation a 1 always. The driver for this device has been
realised in the Tcl extension language of the SICS server. A prerequisite
for the usage of this device is that the file hakle.tcl is sourced in the
SICS initialisation file and the command inihaakearray has been published.
Installing the
Haake into SICS requires two steps: first create an array with
initialisation parameters, second install the device with evfactory. A
command procedure is supplied for the first step. Thus the initialisation
sequence becomes:
\begin{quotation}
inihaakearray name-o-array macintosh-computer name port channel\newline
evfactory new temperature tcl name-of-array\end{quotation}
An example for the SANS:
\begin{quotation}
inihaakearray eimer lnsp25.psi.ch 4000 1 \newline
evfactory new temperature tcl eimer\end{quotation}
Following this, the thermostat can be controlled with the other environment
control commands.
The Haake Thermostat understands a single special subcommand: {\bf sensor}.
The thermostat may be equipped with an external sensor for controlling and
reading. The subcommand sensor allows to switch between the two. The exact
syntax is:
\begin{quotation}
temperature sensor val\end{quotation}
val can be either intern or extern.
\subsubsection{Dilution Cryostat}
\label{f9:dilu}
This is a large ancient device for reaching very low temperatures. This
cryostat can be configured into SICS with the command:
\begin{verbatim}
EVFactory new Temp dillu computer port channel table.file
\end{verbatim}
Temp is the name of the dilution controller command in SICS, dillu is the
keyword which selects the dilution driver, computer, port and channel are
the parameters of the Macintosh-PC running the serial port server program.
table.file is the fully qualified name of a file containing a translation
table for this cryostat. The readout from the dilution controller is a
resistance. This table allows to interpolate the temperature from the
resistance measurements and back. Example:
\begin{verbatim}
evfactory new temperature dillu lnsp19.psi.ch 4000 1 dilu.tem
\end{verbatim}
installs a new dilution controller into SICS. This controller is connected
to port 1 at the Macintos-PC with the newtwork adress lnsp19.psi.ch. On this
macintosh-PC runs a serial port server program listening at TCP/IP port
4000. The name of the translation table file is dilu.tem.
The dilution controller has no special commands, but two caveats: As of
current (October 1998) setting temperatures does not work due to problems
with the electronics. Second the dilution controller MUST be connected to
port 1 as only this port supports the 4800 maximum baud rate this device
digests.
\subsubsection{Bruker Magnet Controller B-EC-1}
\label{f9:bruker}
This is the Controller for the large magnet at SANS. The controller is a
box the size of a chest of drawers. This controller can be operated in one
out of two modes: in {\bf field} mode the current for the magnet is controlled via
an external hall sensor at the magnet. In {\bf current} mode, the output current
of the device is controlled. This magnet can be configured into SICS with a
command syntax like this:
\begin{quotation}
evfactory new name bruker Mac-PC Mac-port Mac-channel\end{quotation}
name is a placeholder for the name of the device within SICS. A good
suggestion (which will be used throughout the rest of the text) is magnet.
bruker is the keyword for selecting the bruker driver. Mac-PC is the name of
the Macintosh PC to which the controller has been connected, Mac-Port is the
port number at which the Macintosh-PC's serial port server listens.
Mac-channel is the RS-232 channel to which the controller has been
connected. For example (at SANS):
\begin{verbatim}
evfactory new magnet bruker lnsp25.psi.ch 4000 9
\end{verbatim}
creates a new command magnet for a Bruker magnet Controller connected to
serial port 9 at lnsp25.
In addition to the standard environment controller commands this magnet
controller understands the following special commands:
\begin{description}
\item[magnet polarity] Prints the current polarity setting of the controller. Possible
answers are plus, minus and busy. The latter indicates that the controller
is in the process of switching polarity after a command had been given to
switch it.
\item[magnet polarity val] sets a new polarity for the controller. Possible values for val are
{\bf minus} or {\bf plus}. The meaning is self explaining.
\item[magnet mode] Prints the current control mode of the controller. Possible
answers are {\bf field} for control via hall sensor or {\bf current} for
current control.
\item[magnet mode val] sets a new control mode for the controller. Possible values for val are
{\bf field} or {\bf current}. The meaning is explained above.
\item[magnet field] reads the magnets hall sensor independent of the control mode.
\item[magnet current] reads the magnets output current independent of the control mode.
\end{description}
Warning: There is a gotcha with this. If you type only magnet a
value will be returned. The meaning of this value is dependent on the
selected control mode. In current mode it is a current, in field mode it is
a magnetic field. This is so in order to support SICS control logic.
You can read values at all times explicitly using magnet current or
magnet field.
\subsubsection{The CryoFurnace.}
\label{f9:ltc11}
The CryoFurnace at PSI is equipped with a Neocera LTC-11 temperature
controller. This controller can control either an heater or an analag output
channel. Futhermore a choice of sensors can be selected for controlling the
device. The LTC-11 behaves like a normal SICS environment control device
plus a few additional commands. An LTC-11 can be configured into SICS with
the following command:
\begin{quotation}
evfactory new name ltc11 Mac-PC Mac-port Mac-channel\end{quotation}
name is a placeholder for the name of the device within SICS. A good
suggestion is temperature.
ltc11 is the keyword for selecting the LTC-11 driver. Mac-PC is the name of
the Macintosh PC to which the controller has been connected, Mac-Port is the
port number at which the Macintosh-PC's serial port server listens.
Mac-channel is the RS-232 channel to which the controller has been
connected. For example (at DMC):
\begin{verbatim}
evfactory new temperature ltc11 lnsp18.psi.ch 4000 6
\end{verbatim}
creates a new command magnet for a LTC-11 temperature Controller connected to
serial port 6 at lnsp18.
The additional commands understood by the LTC-11 controller are:
\begin{description}
\item[temperature sensor ] allows to query the current sensor used for temperature readout.
\item[temperature sensor val ] allows to select the sensor val for temperature readout.
\item[temperature controlanalog ] allows to query the sensor used for controlling the analog channel.
\item[temperature controlanalog val ] allows to select the sensor val for controlling the analog channel.
\item[temperature controlheat ] allows to query the sensor used for controlling the heater channel.
\item[temperature controlheat val ] allows to select the sensor val for controlling the heater channel.
\item[temperature mode] Allows to query if the LTC-11 controls the analog or heater channel.
\end{description}
Further notes: As the CryoFurnace is very slow and the display at the
controller becomes unusable when the temperature is read out to often, the
LTC-11 driver buffers the last temperature read for 5 seconds. Setting the
mode of the LTC-11 is possible by computer, but not yet fully understood and
therefore unusable.
\subsubsection{The Eurotherm Temperature Controller}
\label{f9:euro}
At SANS there is a Eurotherm temperature controller for the sample heater.
This and probably other Eurotherm controllers can be configured into SICS
with the following command. The eurotherm needs to be connected with a
nullmodem adapter.
\begin{quotation}
evfactory new name euro Mac-PC Mac-port Mac-channel\end{quotation}
name is a placeholder for the name of the device within SICS. A good
suggestion is temperature.
euro is the keyword for selecting the Eurotherm driver. Mac-PC is the name of
the Macintosh PC to which the controller has been connected, Mac-Port is the
port number at which the Macintosh-PC's serial port server listens.
Mac-channel is the RS-232 channel to which the controller has been
connected. {\bf WARNING:} The eurotherm needs a RS-232 port with an unusual
configuration: 7bits, even parity, 1 stop bit. Currently only the SANS
Macintosh port 13 (the last in the upper serial port connection box) is
configured like this! Thus, an example for SANS and the name temperature
looks like:
\begin{verbatim}
evfactory new temperature euro lnsp25.psi.ch 4000 13
\end{verbatim}
There are two further gotchas with this thing:
\begin{itemize}
\item The eurotherm needs to operate in the EI-bisynch protocoll mode. This has
to be configured manually. For details see the manual coming with the machine.
\item The weird protocoll spoken by the Eurotherm requires very special control
characters. Therefore the send functionality usually supported by a SICS
environment controller could not be implemented.
\end{itemize}
% html: End of file: `samenv.htm'
% html: Beginning of file: `logbook.htm'
\section{LogBook command}
\label{f10}
Some users wish like to have all the input typed to SICS and all responses
collected in a file for further review. This is implemented via the LogBook
command. LogBook understands the following syntax:
\begin{description}
\item[ LogBook] alone prints the name of the current logfile and the status of event
logging.
\item[ LogBook file filename] This command sets the filename to which output will be printed.
Please note that this new filename will only be in effect after restarting
logging.
\item[ LogBook on] This command turns loggin on. All commands and all answers will be
written to the file defined with the command described above. Please note,
that this command will overwrite an existing file with the same name.
\item[ LogBook off] This command closes the logfile and ends logging.
\end{description}
% html: End of file: `logbook.htm'
% html: Beginning of file: `commandlog.htm'
\section{The Commandlog}
\label{f11}
The commandlog is a file where all communication with clients
having user or manager privilege is logged. This log allows to retrace each
step of an experiment. This log is usually switched off and must be
configured by the instrument manager. There exists a special command,
commandlog, which allows to control this log file.
\begin{description}
\item[commandlog new filename] starts a new commandlog writing to filename. Any prior files will be
closed. The log file can be found
in the directory specified by the ServerOption LogFileDir. Usually this is
the log directory.
\item[commandlog] displays the status of the commandlog.
\item[commandlog close] closes the commandlog file.
\item[commandlog auto] Switches automatic log file creation on. This is normally switched on.
Log files are written to the log directory of the instrument account. There
are time stamps any hour in that file and there is a new file any 24 hours.
\end{description}
% html: End of file: `commandlog.htm'
% html: Beginning of file: `macro.htm'
\section{Macro Commands}
\label{f12}
SICS has a built in macro facility. This macro facility is aimed at instrument managers and users alike. Instrument managers may provide customised measurement procedures in this language, users may write batch files in this language. The macro language is John Ousterhout's Tool Command Language (TCL). Tcl has control constructs, variables of its own, loop constructs, associative arrays and procedures. Tcl is well documented by several books and online tutorials, therefore no details on Tcl will be given here. All SICS commands are available in the macro language. Some potentially harmful Tcl commands have been deleted from the standard Tcl interpreter. These are: exec, source, puts, vwait, exit,gets and socket. The following commands allow access to the macro facility:
{\bf FileEval name } tries to open the file name and executes the script in this file. Please note that the server is configured via such a file.
{\bf ClientPut sometext1 ... } writes everything after ClientPut to the client which started the script. Useful for output to a client from macro scripts.
{\bf SICSType object } allows to query the type of the object specified by object. Possible return values are
\begin{itemize}
\item {\bf DRIV } if the object is a SICS drivable object such as a motor
\item {\bf COUNT } if the object is some form of a counter.
\item {\bf COM } if the object is a SICS command.
\item {\bf NUM } if the object is a number.
\item {\bf TEXT } if object is something meaningless to SICS.
\end{itemize}
{\bf SICSbounds var newval } checks if the new value newval lies within the limits for varaible var. Returns an error or OK depending on the result of the test.
{\bf SICSStatus var } SICS devices such as counters or motor may be started and left running while the program is free to do something else. This command allows to enquire the status of such a running device. Return values are internal SICS integer codes. This command is only of use for SICS programmers.
{\bf SetStatus newval } allows to set the SICS status to one of: Eager, UserWait, Count, NoBeam, Driving, Running, Scanning, Batch Hatl or Dead. This command is only available in macros.
{\bf SetInt newval, GetInt } allow for the manipulation of interrupts from macro scripts. Not recommended! Possible return values or new values are: continue, abortop, abortscan, abortbatch, halt, free, end. This command is only permitted in macros. Should only be used by SICS programmers.
% html: End of file: `macro.htm'
% html: Beginning of file: `buffer.htm'
\section{R\"unbuffer Commands}
\label{f13}
LNS scientists have got used to using R\"unbuffers for instrument control. A R\"unbuffer is an array of SICS commands which typically represent a measurement. This R\"unbuffer can be edited at run time. This is very similar to a macro. In contrast to a macro only SICS commands are allowed in R\"unbuffers. When done with editing the R\"unbuffer it can be entered in a R\"unlist. This is a stack of R\"unbuffers which get executed one by one. While this is happening it is possible (from another client) to modify the R\"unlist and edit and add additional R\"unbuffer on top of the stack. This allows for almost infinite measurement and gives more control than a static batch file. In order to cater for this scheme three commands have been defined:
The {\bf Buf } object is responsible for creating and deleting R\"unbuffers. The syntax is:
\begin{itemize}
\item {\bf Buf new name } creates a new empty R\"unbuffer with the name name. name will be installed as a SICS object afterwards.
\item {\bf Buf copy name1 name2 } copies R\"unbuffer name1 to buffer name2.
\item {\bf Buf del name } deletes the R\"unbuffer name.
\end{itemize}
After creation, the R\"unbuffer is accessible by his name. It than understands the commands:
\begin{itemize}
\item {\bf NAME append what shall we do with a drunken sailor } will add all text after append as a new line at the end of the R\"unbuffer.
\item {\bf NAME print } will list the contents of the R\"unbuffer.
\item {\bf NAME del iLine } will delete line number iLine from the R\"unbuffer.
\item {\bf NAME ins iLine BimBamBim } inserts a new line {\bf after } line iLine into the R\"unbuffer. The line will consist of everything given after the iLine.
\item {\bf NAME subst pattern newval } replaces all occurences of pattern in the R\"unbuffer by the text specified as newval. Currently this feature allows only exact match but may be expanded to Unix style regexp or shell like globbing.
\item {\bf NAME save filename } saves the contents of the R\"unbuffer into file filename.
\item {\bf NAME load filename } loads the R\"unbuffer with the data in file filename.
\item {\bf NAME run } executes the R\"unbuffer.
\end{itemize}
The R\"unlist is accessible as object {\bf stack }. Only one R\"unlist per server is permitted. The syntax:
\begin{itemize}
\item {\bf stack add name } adds R\"unbuffer name to the top of the stack.
\item {\bf stack list } lists the current R\"unlist.
\item {\bf stack del iLine } deletes the R\"unbuffer iLine from the R\"unlist.
\item {\bf stack ins iLine name } inserts R\"unbuffer name after R\"unbuffer number iLine into the R\"unlist.
\item {\bf stack run } executes the R\"unlist and returns when all R\"unbuffers are done.
\item {\bf stack batch } executes the R\"unlist but does not return when done but waits for further R\"unbuffers to be added to the list. This feature allows a sort of background process in the server.
\end{itemize}
% html: End of file: `buffer.htm'
% html: Beginning of file: `hkl.htm'
\section{4 Circle Diffractometer Setting Calculation}
\label{f14}
An essential part of operating a 4 circle diffractometer is the calculation
of the setting angles for the diffractometer for a given reciprocal lattice
point from the UB matrix and the wavelength. SICS does this through the hkl
object. The hkl object can calculate the required settings both for normal 4
circle configuration and normal beam configuration. It is possible to
specify if low chi or high chi values are preferred. The wavelength can be
dealt with in two ways: it can be set manually. Or a variable controlling
the wavelength can be specified. The hkl object will then be updated
automatically with the newest value for the wavelength whenever the
wavelength changes.
The hkl object understands the following commands:
\begin{description}
\item[hkl list] Prints a listing of all relevant settings calculation parameters.
\item[hkl current] Prints the value of the last calculated reflection.
\item[hkl lambda val] Manually sets the wavelength to val. No automatic updates of the
wavelength will be performed.
\item[hkl lambdavar val] Sets the name of the variable controlling the wavelength. The wavelength
in the hkl object will be automatically updated whenever the wavelength is
modified by driving variable val. This is a user command because the TRICS
spectrometer has more then one monochromator.
\item[hkl setub a11 a12 a13 a21 a22 a23 a31 a 32 a33] SetUB sets the UB matrix to the nine values given.
\item[hkl nb val] Switches the mode for normal beam calculation. If val is 1 a normal beam
calculation is performed, else normal four circle calculations are done.
\item[hkl quadrant val] Defines the chi quadrant to prefer. The parameter val can be 0 for low
chi and 1 for high chi.
\item[hkl calc h1 h2 h3 psi hamil] Calculates and prints the setting angles for the reflection (h1,h2,h3).
Optionally a psi value and a hamilton position can be specified.
\item[hkl run h1 h2 h3 psi hamil] Calculates the setting angles for the reflection (h1,h2,h3) and starts
the motors to run to that position. This command will return immediately and
will not wait for the diffractometer to arrive at the setting angles
requested.
Optionally a psi value and a hamilton position can be specified.
\item[hkl drive h1 h2 h3 psi hamil] Calculates the setting angles for the reflection (h1,h2,h3) and starts
the motors to drive to that position. This command will wait for the
diffractometer to arrive at the setting angles requested.
Optionally a psi value and a hamilton position can be specified.
\end{description}
% html: End of file: `hkl.htm'
% html: Beginning of file: `config.htm'
\section{Configuration Commands}
\label{f15}
SICS allows to change the user rights of the current client server connection, control the amount of output a client receives and to specify additional logfiles where output will be placed. All this is accessed through the following commands:
The SICS server logs all its activities to a logfile, regardless of what the user requested. This logfile is mainly intended to help in server debugging. However, clients may register an interest in certain server events and can have them displayed. This facility is accessed via the {\bf GetLog } command. It needs to be stressed that this log receives messages from {\bf all } active clients. GetLog understands the following messages:
\begin{itemize}
\item {\bf GetLog All } achieves that all output to the server logfile is also written to the client which issued this command.
\item {\bf GetLog Kill } stops all logging output to the client.
\item {\bf GetLog OutCode } request that only certain events will be logged to the client issuing this command. Enables only the level specified. Multiple calls are possible.
\end{itemize}
Possible values for OutCode in the last option are:
\begin{itemize}
\item {\bf Internal } internal errors such as memory errors etc.
\item {\bf Command } all commands issued from any client to the server.
\item {\bf HWError } all errors generated by instrument hardware. The SICS server tries hard to fix HW errors in order to achieve stable operations and may not generate an error message if it was able to fix the problem. This option may be very helpful when tracking dodgy devices.
\item {\bf InError } All input errors found on any clients input.
\item {\bf Error } All error messages generated by all clients.
\item {\bf Status } some commands send status messages to the client invoking the command in order to monitor the state of a scan.
\item {\bf Value } Some commands return requested values to a user. These messages have an output code of Value.
\end{itemize}
{\bf config } allows to configure various aspects of the current client server connection. Basically three things can be manipulated: The connections output class, the user rights associated with it, and output files.
\begin{itemize} \item The command {\bf config OutCode val } sets the output code for the connection. By default all output is sent to the client. But a graphical user interface client might want to restrict message to only those delivering requested values and error messages and suppressing anything else. In order to achieve this, this command is provided. Possible values Values for val are Internal,Command, HWError,InError,Status, Error, Value. This list is hierarchical. For example specifying InError for val lets the client receive all messages tagged InError, Status, Error and Value, but not HWError, Command and Internal messages.
\item Each connection between a client and the SICS server has user rights assocociated with it. These user rights can be configured at runtime with the command {\bf config Rights Username Password }. If a matching entry can be found in the servers password database new rights will be set.
\item Scientists are not content with having output on the screen. In order to
check results a log of all output may be required. The command {\bf config
File name } makes all output to the client to be written to the file
specified by name as well. The file must be a file accessible to the server,
i.e. reside on the same machine as the server. Up to 10 logfiles can be
specified. Note, that a directly connected line printer is only a special
filename in unix.
\item {\bf config close num} closes the log file denoted by num again.
\item {\bf config list} lists the currently active values for outcode and user
rights.
\end{itemize}
% html: End of file: `config.htm'
% html: Beginning of file: `system.htm'
\section{System Commands}
\label{f16}
{\bf Sics\_Exitus }. A single word commands which shuts the server down. Only Managers may use this command.
{\bf wait time } waits time seconds before the next command is executed. This does not stop other clients from issuing commands.
{\bf ResetServer } resets the server after an interrupt.
{\bf Dir } a single word command which lists all objects available in the SICS system in its current configuration.
{\bf status } A single word command which makes SICS print its current
status. Possible return values can be:
Eager to execute commands, Scanning, Counting, Running, Halted. Note that if a command is executing which takes some time to complete
the server will return an ERROR: Busy message when further commands are issued.
{\bf status interest} initiates automatic printing of any status change in the
server. This command is primarily of interest for status display client
implementors.
{\bf backup file} saves the current values of SICS variables and selected
motor and device parameters to the disk file specified as parameter. The
path to this files is relative to the SICS server directory. The format
of the file is a list of SICS commands to set all these parameters again.
{\bf restore file} reads a file produced by the backup command described
above and restores SICS to the state it was in when the status was saved with
backup.
% html: End of file: `system.htm'
% html: Beginning of file: `tricsingle.htm'
\chapter{Running TRICS with a Single Counter}
\label{f2}
In this mode TRICS simulates a conventionell four circle diffractometer much
like a x-ray diffractometer as commercially available. The tasks which have
to be solved are:
\begin{itemize}
\item Locate Reflections
\item Index reflections and refine a UB-matrix.
\item Measure a couple of reflections.
\end{itemize}
\section{Locate Reflections}
If you know x-ray single crystal diffractometers you'll expect sophisticated
reflection search procedures here. Nothing is available in this field in
SICS. It was deemed inapropriate for neutron research. The first reflections
must be found by hand. Something which may help in this is a quick scan
facility which allows to run a motor and print counts while the motor is
moving. This can be invoked by a command like this:
\begin{verbatim}
susca var start end time
\end{verbatim}
The parameters are:
\begin{itemize}
\item var: the motor or variable to scan.
\item start: the start position from which to scan.
\item end: the end position for this scan.
\item time: The maximum counting time.
\end{itemize}
Be aware that this is inprecise and liable to changes in the source current.
But it may help to locate the aproximate position of a peak.
Once a peak has been found, its position can be optimised and centered with the
peak optimiser (cf.\ Section~\ref{f17}).
The next thing to do is to store the reflection and find other ones. Once a
few reflections have been found, the need to be written to disk. This can be
accomplished with the object rliste which has the following subcommands:
\begin{description}
\item[rliste clear] clears all entries from the list
\item[rliste store] saves the current diffractometer position into the list
\item[rliste write file] Writes the contents of the reflection list to the file specified.
\end{description}
\section{Indexing Reflections and Refining UB-Matrix}
For these purposes the external programs INDEX and
RAFIN are provided. These programs are courtesy of the ILL, France.
\section{Measuring Reflections}
Before measuring reflections a list of reflections to measure must be
created. This is done with the external program
HKLGEN. Then reflections this reflection list can
be fed into SICS using the mess (cf.\ Section~\ref{f19}) command. mess
creates two output files: a .col file containing the reflection profiles of
all the relfections and a .dat files which contains the
HKL,F,sig(F),TH,OM,CH,PH for each reflection. Intensity has then be
integrated within SICS. The .col files can be processed by the program
REFRED which allows to perform more advanced data reduction chores and has a
choice of integration methods for reflection data. Please note, that SICS
does not automatically measure standard reflections. It is your task to add
suitable standard reflections into the reflection list.
% html: End of file: `tricsingle.htm'
% html: Beginning of file: `optimise.htm'
\section{The Peak Optimiser}
\label{f17}
In instrument control the need arises to optimise a peak with respect to
several variables. Optimising means finding the maximum of the peak with
respect to several variables.
This is usefull during instrument calibration.
Four circle diffractometers use this facility on a day to day basis
for finding and verifying the exact position of reflections. In order to
support both usages a more general module has been implemented. The way of
operation is like this:
\begin{verbatim}
while errors gt precision and cycles lt maxcycles
for all variables
do a scan
Try find the maximum, two halfwidth points and the peak center.
if failure extend the scan.
if success shift the variable, remember last shift.
If shift lt precicison mark this variable as done
end for
end while
\end{verbatim}
Possible outcomes of this procedure are: success, the peak was lost or the
maximum number of cycles was reached. This routine requires that the
instrument is currently placed somewhere on the peak and not miles away.
The Peak Optimiser is implemented as an object with the name opti. It
understand the following commands:
\begin{description}
\item[opti clear] clears the optimiser.
\item[opti addvar name step nStep precision] This command adds a variable to optimise to the optimiser. The user has
to specify the name of the variable, the step width to use for scanning, the
number of steps needed to cover the full peak when scanning and the
precision which should be achieved when optimising the peak. The step width
and number of steps parameters should cover the whole peak. However, the
Optimiser will extend the scan is the specified range is not sufficient.
\item[opti run] Starts the optimiser. It will then optimise the peak. This may take some
time.
\end{description}
The behaviour of the optimiser can be configured by modifying some
parameters. The synatx is easy: {\bf opti parameter} prints the value of the
parameter, {\bf opti parameter newval} sets a new value for the parameter.
The following parameters are supported:
\begin{description}
\item[maxcycles] The maximum number of cycles the optimiser will run when trying to
optimise a peak. The default is 7.
\item[threshold] When a peak cannot be identified after a scan on a variable, the
optimiser will check if there is a peak at all. In order to do that it
searches for a count rate higher then the threshold parameter. If such a
rate cannot be found the optimiser will abort and complain that he lost the
peak.
\item[channel] The counter channel to use for scanning. The default is to use the
counter. By modifying this parameter, the optimiser can optimise on a
monitor instead.
\item[countmode] The counting mode to use when scanning. Possible values are {\bf timer} or
{\bf monitor}.
\item[preset] The preset value to use for counting in the scan. Depending on the
status of the countmode parameter this is either a preset time or a preset
monitor.
\end{description}
% html: End of file: `optimise.htm'
\section{External FORTRAN 77 Programs}
\subsection{INDEX}
The program indexes reflections on the basis of observed
2Theta, Omega, Chi, Phi angles when the cell constants and
wavelength are known.
It does not take into account systematic extinctions.
The process, when successful, has three steps.
First, it calculates, for each set of observations, all possible
HKL's for which theta(calc) lies within theta(obs) +/-
delta theta.
delta theta is given - see below -.
For delta theta = 0, the value defaults to 0.05.
Second, it finds for all combinations of two sets of observations,
the angle between the indexed HKL's for which angle(calc) lies
within angle (obs) +/- delta.
delta given - see below -. Delta = 0 causes default to 0.2
Finally, it finds all sets of indexed HKL's that explain all angles
between the observed sets of Omega, Chi and Phi.
The user will normally be presented with several possible sets of
HKL's which fit within the limits given.
- they are already tested for right-handedness -
and he must now choose which set he likes the most.
If he wishes he may now specify which set of reflections he likes
and the program will then set up the input file for the program
rafin, - see next section -.
The program ensures that the first two reflections are acceptable
to rafin. The user must say whether he wants the ub matrix
written directly into lsd ( for instant use ) and which file he
wants his rafin input to come from (usually rafin.dat).
The program rafin is then automatically started.
Input to index can be done either from the terminal or from a file
index.dat
The format is the same, an example is given here.
\begin{verbatim}
THIS IS A DUMMY EXAMPLE ( text )
5.82 16.15 4.09 90 103.2 90 .84 .15 (cell constants, lambda delta)
16.18 9.01 34.71 14.74 0 (2Th, Om, Ch, Ph, delta theta)
13.21 7.8 .71 -56.13 0.1 (2Th, Om, Ch, Ph, delta theta)
etc. etc.
0 ( end list with 2Th = 0 )
\end{verbatim}
The program will only suggest sets of indexed HKL's if all
reflections are explained. If not, the user must himself look
through the list of observed and calculated angles to find a
partial list.
\subsection{RAFIN}
This program determines orientation matrix ( ub) from two or more
sets of orientation angles for reflections, and refines
(optionally) wavelength; zeroes of 2Theta, Omega or Chi; a, b, c,
alpha, beta or gamma.
To call the program, type :--
rafin
after having set up the input file :
The input data are on rafin. dat
(teletype input can be used, but is cumbersome)
Use teco to make or correct the file.
An example of the input file ( comments in parentheses ) :--
\begin{verbatim}
0 1 (second no. 0/1 for ub not transferred/transferred to lsd)
0 (always)
0 -4 -2 28.01 13.75 81.59 42.05 (H K L 2Theta Omega Chi Phi)
4 -6 7 50.84 25.37 34.04 18.41
-2 -6 0 41.55 20.53 66.93 59.99
4 0 4 19.74 9.94 -16.92 -5.40
1 -5 -3 35.59 17.70 82.32 1.40
6 0 0 18.47 9.26 -2.32 -46.95
0 .8405 (0/1 do not/do refine lambda; and lambda)
0 0.0 1 0.0 1 0.0 (0/1 for do not/do refine, 2Theta zero,
-0/1 for do not/do refine, Om zero,
-0/1 for do not/do refine, Chi zero.
0 15.9158 0 7.1939 0 14.277 0 90 0 98.72 0 90 (ditto for a, b, c, alpha, beta and gamma)
2 0 0 (H K L list for angles to be calculated)
0 2 0
0 0 2
0 0 0 (end of list)
-1 (end of input file)
\end{verbatim}
Ensure that lsd is not running if you wish to transfer the
matrix and wavelength directly into its parameter section,
otherwise it may not be successful.
rafin will never modify the zeroes for you. This is for you to do
by adding them to the values in zer of par. Remember that for a
well aligned diffractometer, they will never change by very much.
Note: the first two reflections should be far away enough in
reciprocal space to define a plane. They must be at least 45 deg
apart in Phi and only one may have Chi greater than 45 deg.
Note also that higher angle (Theta) reflections usually give a
better fit.
You cannot, obviously, refine lambda and your cell at the same
time.
\subsubsection{Acknowledgements}
The index program was written by M.S.Lehmann,
and J.M.Savariault.
The rafin program was implemented at the ill by A.Filhol and
M.Thomas.
It was implemented on the pdp 11 system by A.Barthelemy.
\subsection{HKLGEN}
THIS PROGRAM IS USED TO GENERATE A LIST OF HKL's which can be used
for input to the measurement routines of lsd.
Indices can be generated internally in lsd, but it is generally
considered easier to create a list, and measure from this.
hklgen will generate HKL's according to min and max specified
indices, and will write them into output file(s) if they are inside
the Theta limits.
If chi and phi limits are specified, the program will also look
to see if the hkl is measurable inside these machine limits.
If not, it will see if the Friedel Pair is inside limits
If this is also outside limits, it will see if the reflection can
be measured for hkl psi=180
- note this option means chi = 90 -> 180 i.e. up-side-down.
If measurement is not possible for any of these conditions, the
hkl is declared blind.
Comments like fr.pr hichi blind indicate these on tty output.
To run the program do :--
hklgen
Input to the program is either from the terminal or from a file
hklgen.dat, already created by the user.
\subsubsection{Input from Terminal}
The first question asked under this option is whether a file
hklgen.dat should be created.
If subsequent runs are envisaged, this might be a good idea. In
this case teco can be used to make small changes to the input and
the program can be quickly re-run.
hklgen then asks for the following parameters :--
\begin{enumerate}
\item Title. Up to 80 characters to be displayed at the top of the
output.
\item Wavelength and the 9 'rules limiting possible reflections' -
see appendix C -- If you give wavelength = 0, the wavelength,
extinction rules, and orientation matrix will be taken from
lsd's parameter files.
chi and phi software limits are also taken but an
opportunity is given to over-write them.
-- If the wavelength is given explictly, followed by up to 9
numbers for the extinction rules, the orientation matrix must
then be given line by line.
\item Theta limits. ( Note not 2-Theta limits ).
chi and phi limits ( if required ) must also be given in
this line.
-- If zeroes are given, no limits will be included in the
calculations.
-- If nothing is given, LSD's limits will be used if data was
taken from the parameter files, or it will default to zeroes
if the data above was given by the user.
\item Three numbers indicating the relative speed of variation of
h, k and l.
First number is the slowest changing index, third number is
the fastest changing index.
1/2/3 is used to represent h/k/l.
e.g. 3 2 1 means L changes slowest, then K, with H changing
fastest.
\item Minimum and maximum indices in hkl are now requested.
You must give hmin hmax kmin kmax lmin lmax.
Note however that before starting the calculations, hklgen
calculates itself what is the maximum value for each index for
the specified Theta range and if this is inside these values,
they will be modified.
Therfore, if, for example 0 999 0 999 -999 999 is given,
hklgen will calculate the maximum values and give HKL's for
positive H, positive K, positive and negative L.
\item Four numbers concerning various outputs from the program.
a) The first npunch concerns the hkl output file.
0 = no file for output
1 = file for output containing hkl only in 3I4 format.
2 = file for d15-ren ( not for d8-d9 )
3 = file for output containing hkl and setting angles.
b) The second ipara concerns machine geometry.
0 = Bissecting geometry - (normal for d8-d9 ).
1 = Normal beam geometry - ( rarely used on d8-d9 )
3 = d15 lifting counter mode ( used with npunch = 2 )
c) The third number nbites concerns hkl output.
1 = write hkl for each case in four separate files.
0 = write all HKL's in one single file FOR00x. dat
( x specified below ).
d) The fourth number nlist concerns terminal output.
0 = write each hkl with angles and comment on terminal.
( can take time and consume paper ).
1 = suppress most of the output on tty.
\item If in previous line FOR00x. dat was specified for hkl output,
X must be given.
This is the last line in the input but is not always
necessary.
\end{enumerate}
The program then generates as specified, creating file(s) if
required. It gives a resume at the end and exits.
\subsubsection{Input from file hklgen.dat}
Input is given in exactly the same order as above, so for a more
detailed description of each parameter see previous section.
Two possible examples are given below.
\begin{verbatim}
KNUDDERKRYSTAL LAVET AF AARKVARD, 120K (Text, 80 characters)
0.8405 0 0 0 0 0 0 0 0 0 (Wavelength and the 9 Extinction rules. )
0.043361 -.04190 .5399 ( ub given in three separate lines
-.046409 -.032053 .03721 - as wavelength is given explicitly
-.00256 -.12861 -.02687
0 36 -20 95 ( Theta limits and Chi limits - note - no limits on Phi. )
2 1 3 ( relative speeds of hkl. - K slowest - L fastest. )
-99 -1 0 5 -99 99 ( Hmin,Hmax,Kmin, etc. - note all L's with all neg
1 0 0 1 ( a) Output file of hkl.
b) Bisecting geom - usual.
c) All HKL's in for00x.dat.
d) Suppress most tty output. )
3 ( hkl file on for003.dat )
\end{verbatim}
hklgen is a program which has evolved in the hands of :
A.Filhol, S.Mason. A.Barthelemy and J.Allibon.
\subsection{Encoding of Extinction Rules}
\begin{verbatim}
HKL
0 : NO CONDITIONS
1 : H + K + L = 2n
2 : H, K, L all even or all odd
3 : -H + K + L = 3n
4 : H = K + L = 3n
5 : H + K = 2n
6 : K + L = 2n
7 : H + L = 2n
8 : H + K + L = 6n
9 : H, K, L all even
10 : H, K, L all odd
11 : If H - K = 3n, then L = 6n
H K 0
0 : No conditions
1 : H = 2n
2 : K = 2n
3 : H + K = 2n
4 : H + K = 4n
0 K L
0 : No conditions
1 : K = 2n
2 : K + L = 2n
3 : K + L = 3n
4 : K + L = 4n
5 : L = 2n
H 0 L
0 : No conditions
1 : L = 2n
2 : H = 2n
3 : L + H = 2n
4 : L + H = 4n
H H L
0 : No conditions
1 : L = 2n
2 : H = 2n
3 : 2H + L = 4n
\end{verbatim}
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\section{Reflection List Processor}
\label{f19}
This section describes the means for doing a standard single counter four
circle diffractometer measurement with SICS. A prerequisite for that is a
file with a list of reflections to measure. This is a simple file with
three floating point values per line giving the HKL of the reflection to
measure. Do not forget to put standard reflections into that file any now
and then. Another prerequisite is, that the UB-matrix had been determined
beforehand and that SICS has the updated values. Also check the value of
lambda in the hkl-object.
The measurement procedure is rather simple: If a reflection is accessible
the diffractometer is positioned on that reflection. Then a scan is done for
the reflection and data written to file. The scans all run with a fixed scan
widths, counter preset and countmode. There is a choice of omega scan or
omega two theta scan. It is known that there are more sophisticated
measurement schemes for four circle diffraction, but as TRICS is only
temporarily operated with a single counter not much optimisation seemed
necessary.
Three files will be written starting from a root such as tricsnumberyear.
For instance trics05601998 means file number 560 in 1998. The file ending in
.log will contain the console log. This is extremely verbose. Another file
ending with .col will contain the reflection, diffractometer settings and
the measured profile. The third file, ending with .rfl will contain for each
refelction, the HKL, the diffractometer settings and the intensity and sigma
intensity as calculated by the SICS internal integration routine. It does
a Grant Gabe integration (see J.Appl. Cryst (1978), 11, 114-120).
For the purpose of the command description it is assumed, that this facility
is accessible as object mess within SICS.
Interaction with this object happens through the following commands:
\begin{description}
\item[mess start] Creates a new set of files and writes some header info.
\item[mess measure filename iSkip] Starts a measurement. Reads reflections from the file filename. iSkip is
an optional parameter which allows to skip iSkip lines in the file. This
is for recovery in cases of accidental or purposeful interruption
of the measurement.
\item[mess genlist filename iSkip] Mesures reflection from filename. The file is expected to have been
created by hklgen and to include all the angle settings. The optional
parameter iSkip determines the number of lines to skip in the file. This
feature allows to continue measurement on not fully processed files.
\item[mess reopen filename] Reopens an already existing file set for appending. Only the file root
without directory info or endings needs to be given.
\item[mess close] Closes the current data file set.
\item[mess file] Prints the current data file name.
\end{description}
Then there are a few parameter commands. They follow the general scheme:
\begin{description}
\item[mess parameter] Prints the current value of the parameter
\item[mess parameter value] Sets the parameter to the new value.
\end{description}
This object knows about the following parameters:
\begin{description}
\item[countmode] The counting mode to use. Possible values are timer or monitor.
\item[preset] The preset to use for counting
\item[mode] The measurement mode. Posssible values are omega for omega scans and
omega2theta for omega two theta scans.
\item[np] number of points to collect for each profile.
\item[step] The step width in omega to use for scanning.
\end{description}
This object supports some file management functionality. It caters
for the problem that experiments may need to be continued. Thus reopening
files and continuation of reflection processing at a point way down the
reflection file is supported. Consequently the start of a new experiment
requires the following steps:
\begin{itemize}
\item Create a new set of files with {\bf mess start}.
\item Configure the scans with the parameter commands.
\item Start processing a reflection file with either the {\bf mess genlist}
or {\bf mess measure} commands.
\end{itemize}
If you need to continue reflection file processing after an abort or after
solving a problem the following steps are required:
\begin{itemize}
\item Determine the file number you were working at and the line number in the
reflection file where you wish to continue processing.
\item Set the file root with the {\bf mess reopen} command.
\item Configure the scan parameters again.
\item Restart the measurement with either {\bf mess genlist} or {\bf mess
measure} but specify the iSkip parameter according to the position in
the reflection file where processing should continue.
\end{itemize}
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\chapter{TRICS with Position Sensitive Detectors}
\label{f3}
As there are no PSD's available for TRICS, not much can be found here.
In terms of software the following pieces are already available:
\begin{itemize}
\item Instructions for dealing wih
histogram memory (cf.\ Section~\ref{f20}).
\item NeXus (cf.\ Section~\ref{f21}) data handling for TRICS.
\end{itemize}
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% html: Beginning of file: `histogram.htm'
\section{Histogram memory}
\label{f20}
Histogram memories are used in order to control large area sensitive
detectors or single detectors with time binning information.
Basically each detector maps to a defined memory location. The
histogram memory wizard takes care of putting counts detected in the
detector into the proper bin in memory. Some instruments resolve energy
(neutron flight time) as
well, than there is for each detector a row of memory locations mapping to
the time bins. As usual in SICS the syntax is the name of the histogram
memory followed by qualifiers and parameters. As a placeholder for the
histogram memories name in your system, HM will be used in the following
text.
A word or two has to be lost about the SICS handling of preset values for
histogram memories.
Two modes of operation have to be distinguished: counting until a timer has passed,
for example: count for 20 seconds. This mode is called timer mode. In the other
mode, counting is continued until a control monitor has reached a certain
preset value. This mode is called Monitor mode. The preset values in Monitor
mode are usually very large. Therefore the counter has an exponent data variable.
Values given as preset are effectively 10 to the power of this exponent. For
instance if the preset is 25 and the exponent is 6, then counting will be
continued until the monitor has reached 25 million. Note, that this scheme with
the exponent is only in operation in Monitor mode.
\subsection{ Configuration}
A HM has a plethora of configuration options coming with it which define
memory layout, modes of operation, handling of bin overflow and the like.
Additionally there are HM model specific parameters which are needed
internally in
order to communicate with the HM. In
most cases the HM will already have been configured at SICS server startup
time. However, there are occasion where these configuartion option need to
enquired or modified at run time. The command to enquire the current value
of a configuration option is: {\bf HM configure option}, the command to set it is:
{\bf HM configure option newvalue}. A list of common configuration options and their
meaning is given below:
\begin{description}
\item[ HistMode] HistMode describes the modes of operation of the histogram memory.
Possible values are:
\begin{itemize}
\item Transparent, Counter data will be written as is to memory. For debugging
purposes only.
\item Normal, neutrons detected at a given detector will be added to the
apropriate memory bin.
\item TOF, time of flight mode, neutrons found in a given detector will be
put added to a memory location determined by the detector and the time
stamp.
\item Stroboscopic mode. This mode serves to analyse changes in a sample due
to an varying external force, such as a magnetic field, mechanical stress
or the like. Neutrons will be stored in memory according to detector
position and phase of the external force.
\end{itemize}
\item[ OverFlowMode] This parameter determines how bin overflow is handled. This happend
when more neutrons get detected for a particular memory location then are
allowed for the number type of the histogram memory bin. Possible values
are:
\begin{itemize}
\item Ignore. Overflow will be ignored, the memory location will wrap around
and start at 0 again.
\item Ceil. The memory location will be kept at the highest posssible value
for its number type.
\item Count. As Ceil, but a list of overflowed bins will be maintained.
\end{itemize}
\item[ Rank] Rank defines the number of histograms in memory.
\item[ Length ] gives the length of an individual histogram.
\item[ BinWidth] determines the size of a single bin in histogram memory in bytes.
\item[dim0, dim1, dim2, ... dimn] define the logical dimensions of the histogram. Must be set if the
the sum command (see below) is to be used. This is a clutch necessary to
cope with the different notions of dimensions in the SINQ histogram memory
and physics.
\end{description}
For time of flight mode the time binnings can be retrieved and modified with
the following commands. Note that these commands do not follow the configure
syntax given above. Please note, that the usage of the commands for
modifying time bins is restricted to instrument managers.
\begin{description}
\item[HM timebin] Prints the currently active time binning array.
\item[HM genbin start step n] Generates a new equally spaced time binning array. Number n time bins
will be generated starting from start with a stepwidth of step.
\item[HM setbin inum value] Sometimes unequally spaced time binnings are needed. These can be
configured with this command. The time bin iNum is set to the value value.
\item[HM clearbin] Deletes the currently active time binning information.
\end{description}
\subsection{Histogram Memory Commands}
Besides the configuration commands the HM understands the following
commands:
\begin{description}
\item[HM preset] with a new value sets the preset time or monitor for counting. Without a
value prints the current value.
\item[HM exponent] with a new value sets the exponent to use for the preset time
in Monitor mode. Without a
value prints the current value.
\item[CountMode ] with a new values sets the count mode. Possible values are Timer for a
fixed counting time and Monitor for a fixed monitor count which has to be
reached before counting finishes. Without a value print the currently active
value.
\item[HM init ] after giving configuration command sthis needs to be called in order to
transfer the configuration from the host computer to the actual HM.
\item[HM count] starts counting using the currently active values for CountMode and
preset. This command does not block, i.e. in order to inhibit further
commands from the console, you have to give Success afterwards.
\item[HM InitVal val] initialises the whole histogram memory to the value val. Ususally 0 in
order to clear the HM.
\item[ HM get i iStart iEnd] retrieves the histogram number i. A value of -1 for i denotes retrieval
of the whole HM. iStart and iEnd are optional amd
allow to retrieve a subset of a histogram between iStart and iEnd.
\item[HM sum d1min d1max d2min d2max .... dnmin dnmax] calculates the sum of an area on the detector. For each dimension a
minimum and maximum boundary for summing must be given.
\end{description}
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% html: Beginning of file: `nextrics.htm'
\section{TRICS NeXus File Writing Object}
\label{f21}
TRICS writes its data files in the upcoming NeXus data format standard for
neutron scattering and X-ray diffraction. The user may interact with this
object through the following commands:
\begin{description}
\item[nexus start] Starts a new NeXus file.
\item[nexus reopen filename] Reopens a NeXus file which has already been written to.
\item[nexus dumpframe] Writes a frame of data at the current settings to the NeXus file.
\item[nexus file] Prints the filename of the data file currently in use.
\end{description}
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\end{document}