NONIUS CAD4/MACH3 User manual

Manual operation using the pocket terminal
    CAD4 systems with LSI or FALCON(+) processor
    Crash recovery
    Error messages on the pocket terminal
    Display control
    Input function control
    Display function control
    Device function control
    Numerical input control
    Move function control
    Manual register setting
    Special function control
    Contents of windows
    Special conditions
CAD4 operator I/O rules
    Output rules
    Input rules
    Numeric input
Interrupting the CAD4 program
Optional terminal output
Indirect command files
CAD4 error messages

Manual operation using the pocket terminal

CAD4 systems with LSI or FALCON(+) processor

The manual control module provided with CAD4 systems allows the user extremely intimate control over the functions of the interface and CAD4 goniometer. It enables monitoring of goniometer axis positions, scanning and positioning of axes in a variety of modes, control of the radiation detector, reading and setting the switch register, shutter and attenuator control, an override capability if the goniometer has stopped with a limit switch activated and it can show the countrate in absolute or relative terms. In addition the service engineer is able to interrogate and probe the functioning of the interface and goniometer with great facility. In many respects the manual control module is truly a window into the CAD4-system and together with the physical size it makes the name "Pocket Terminal" appropriate.

Physically the pocket terminal has the appearance of a pocket calculator which is connected to the goniostat (and thereby to the interface) by a flexible cable. A diagram showing the layout of the pocket terminal is depicted in Fig.VI.1.. A host terminal is the terminal connected to the HOST computer (i.e. any unix operating computer). The target terminal is the terminal connected to the TARGET computer: the CAD4 interface.

For the experienced user the list below gives the most important operations. Details are discussed in the next paragraph.
 

Keying	Function
[SL4][SL4][SL4][SL4][SL4]	Initialize after start-up
or [MOVE][SL4][SR4]
[THETA]	Display theta in degrees
[PHI]	Displays phi in degrees
[DIAL]	Displays dial in octal steps
[LL]	Displays lower level
[WD]	Displays window
[HV]	Displays high voltage
[SWITCH]	Displays switch register.
[ABS]	Displays absolute intensity
[REL]	Displays relative intensity
[SO]	Opens shutter
[SC]	Closes shutter
[SA]	Sets attenuator
[RA]	Removes attenuator
[<--] [3] [MOVE] [THETA]	Scans theta negative speed 3
[-->] [9] [MOVE] [OMEGA]	Scans omega positive speed 9
[<--] [1] [MOVE] [HV]	Scans high voltage down speed 1
[-->] [5] [MOVE] [LL]	Scans lower level up speed 5
[8]	Change scan speed for previously selected motor to 8.
[<--] [8]	Scan previously selected motor in negative direction at speed 8.
[25.01] [MOVE] [KAPPA]	Positions kappa at 25.01 degrees
[-180.] [MOVE] [PHI]	Positions phi at -180.00 degrees
[1000] [MOVE] [DIAL]	Positions dial at 1000 steps
[100.] [MOVE] [LL]	Sets lower level to 100.
[7600] [MOVE] [SWITCH]	Sets switch register to 7600 (octal)
[<--][3][MOVE][THETA][CRASH]	Scans THETA neg. speed 3 after crash
[CLEAR]	Clears all functions, clears display
[MOVE] [CLEAR]	Stops move functions
[SPEC] [CLEAR]	Clears current input and display

Scan speeds must be in the range 0 to 9. Display and movement of different functions is possible.

Crash recovery

If the goniometer runs into a crash position the following steps must be executed to recover:

• Stop all operation ([CLEAR] key when under pocket-terminal control).
• Find which axis must be moved to recover from crash-position (e.g. THETA) and in which direction.
• After the move command the crash key must be pressed repeatedly, until the protection switches are freed and the axis starts moving out of the crash position for example: [<--][3][MOVE][THETA][CRASH] [CRASH] [CRASH] etc.

In this case a move command does not become effective when it is not followed by [CRASH].
• Press [CLEAR] to stop the movement.

Possible error messages on the pocket terminal are:
 

COLLIS	The requested angular position will cause a collision.
CO RUNS	An attempt was made to operate the goniometer while it was under target microprocessor control.
CRASH	The goniometer is in a crash position.
INP ERR	The entered input string was invalid.

Display control

The display may be visualised as an eight character window onto a line of 32 characters in the pocket terminal memory. The far left(1) and the far right(32) locations in the line are reserved for display of symbols denoting the keyboard status selected e.g. 'MOVE' and 'SPEC', leaving 30 locations in the memory line where data may be stored and accessed for display.

The movement of the window over the line is controlled by two key's:
 

Keying	Function
[SL4]	shifts window four locations over the line to the left.
[SR4]	shifts window four locations over the line to the right.
[MOVE][SL4]	shifts window over the line to the far left.
[MOVE][SR4]	shifts window over the line to the far right.

The current position of the display window over the line is indicated by two flashing dots in adjacent display positions. Each dot corresponds to a block of four characters in the memory line.

Windows over the memory line:

  -----------------------------------------------------------------
  0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 2 2 3 3 3
  1 2 3 4 5 6 7 8 9 0 1 2 3 4 5 6 7 8 9 0 1 2 3 4 5 6 7 8 9 0 1 2
  -----------------------------------------------------------------
1 [. . 3 4 5 6 7 8]
2     [1 . . 4 5 6 7 8]
3         [1 2 . . 5 6 7 8]
4             [1 2 3 . . 6 7 8]
5                 [1 2 3 4 . . 7 8]
6                     [1 2 3 4 5 . . 8]
7                         [1 2 3 4 5 6 . .]

Input function control.

To select the different functions sometimes it is necessary to use the 'MOVE' or 'SPEC' key. In window 1 the far left location and in window 7 the far right location, symbols are displayed denoting the selected keyboard status.
 

Keying	Function
[MOVE]	changes the selected MOVE keyboard status. If MOVE status is selected, '^' is displayed in window 1-1 and in window 7-8.
[SPEC]	changes the selected SPEC keyboard status. If SPEC status is selected, 'v' is displayed in window 1-1 and in window 7-8.
[MOVE][SPEC]	MOVE and SPEC keyboard status is changed. If both MOVE and SPEC are selected, 'X' is displayed in window 1-1 and in window 7-8. By using MOVE or SPEC key twice the keyboard status is back to its original status. Once any other key is hit, except MOVE or SPEC, the keyboard status is cleared.
[C/F]	changes the status of the coarse-fine selection switch. 'C' or 'F' is displayed in window 1-3 depending on present status.
[D/S]	changes the status of the degree-step selection switch. 'D' or 'S' is displayed in window 1-4 depending on present status. If degree mode is selected display of angles is presented in (decimal) degrees and angle input is treated as decimal input. On the other hand step mode presents the angle display in (octal) steps and on angle input, input is treated as octal except if '8','9' or '.' are used.

Display function control

Normal display is in window 2 ([1 . . 4 5 6 7 8]).
 

[ABS]	displays 'IA 13451', for example, as intensity over 1 second.
[REL]	displays 'IR >', for example, as ratio of last measured intensity to the first measured one. IR<<<<<< new is more than  50.  % lower IR<<<<<  new is more than  33.33% lower IR<<<<   new is more than  20.  % lower IR<<<    new is more than  11.11% lower IR<<     new is more than   5.88% lower IR<      new is more than   3.03% lower IR       .96969*old<new<1.03125*old IR>      new is more than   3.12% higher IR>>     new is more than   6.25% higher IR>>>    new is more than  12.5 % higher IR>>>>   new is more than  25.  % higher IR>>>>>  new is more than  50.  % higher IR>>>>>> new is more than 100.  % higher
[TH]	displays 'T 15.34' for theta in degrees.
[PH]	displays 'P0007624' for phi in steps.
[OM]	displays 'O-163.69' for omega in degrees.
[KA]	displays 'K7734736' for kappa in steps.
[DIAL]	displays 'AP 1337' in steps (only).
[LL]	displays 'LL  075' lower level in promilles.
[WD]	displays 'WD  200' window in promilles.
[HV]	displays 'HV  172' high voltage in volts.
[SWITCH]	displays 'SR 5200' octal for switch register.

Device function control.
 

[SO]	to open shutter.
[SC]	to close shutter.
[SA]	to insert attenuator.
[RA]	to remove attenuator.

Numerical input control.
 

-	'-' is echoed in display.
.	'.' is echoed in display.
0	'0' is echoed in display.
1	'1' is echoed in display.
2	'2' is echoed in display.
3	'3' is echoed in display.
4	'4' is echoed in display.
5	'5' is echoed in display.
6	'6' is echoed in display.
7	'7' is echoed in display.
8	'8' is echoed in display.
9	'9' is echoed in display.

Move function control.

Manual scan
 

	Initiating of a manual scan is started by direction key '<' or '>' .
[<]	(less than) will display '<0' to indicate that a manual scan in negative direction with speed 0 is to be selected.
[>]	(greater than) will display '>0' to indicate that a manual scan in positive direction with speed 0 is to be selected. From now on speed can be changed by hitting any numerical key (0-9) and the direction can be changed by hitting the opposit direction key (speed is automatically reset to 0 then). To activate the scan the MOVE key and a subject key must be hit. Complete  scan input sequences can be:

Keying	Function
[<][3][MOVE][TH]	scan theta in negative direction with speed 3.
[<] [MOVE] [PH] [6]	scan phi in negative direction with speed 6.
[>] [MOVE] [OM]	scan omega in positive direction with speed 0.
[>] [4] [MOVE] [KA]	scan kappa in positive direction with speed 4.
[<] [MOVE] [DIAL] [3]	scan dial with speed 3 in negative direction.
[>] [MOVE] [LL] [2]	scan lower level upwards with speed 2.
[<] [5] [MOVE] [WD]	scan window downwards with speed 5.
[>] [2] [MOVE] [HV]	scan high voltage upwards with speed 2.
	To position an axis or the dial wheel, first the wanted position must be entered. Then the positioning will be performed by hitting the [MOVE] key and a subject key. Complete position input sequences can be:
25.01 [MOVE] [TH]	theta will be positioned to 25.01 degrees.
45 [MOVE] [PH]	phi will be positioned to 45.00 degrees or phi will be positioned to 45 (0000045)steps.
-19 [MOVE] [OM]	omega will be positioned to -19.00 degrees.
-165 [MOVE] [KA]	kappa will be positioned to -165.00 degrees or kappa will be positioned to -165 (7777613)steps.
351 [MOVE] [DIAL]	dial will be positioned to 0351 steps.
[PAUSE]	Pressing the pause key during a manual scan stops the movement until the pause key is pressed again. This procedure is usefull with phi-scans while you are observing the crystal through the microscope. If the display is active, the pocket terminal starts beeping with 3 second intervals to indicate the scan is suspended.

Manual register setting

To load a register, first its new contents must be entered. The register is loaded as soon as the MOVE key and a subject key are hit. Complete input sequences can be:
 

160 [MOVE] [LL]	set lower level to 160. promilles of the permitted range.
790  [MOVE] [WD]	set window to 790. promilles of the permitted range.
705  [MOVE] [HV]	set high voltage to 705 V.
5600 [MOVE] [SWITCH]	set switch 0,2,3,4 and clear 1,5-11 in switch register.

(for the use of the switch register is referred to section E. of   this Chapter).

Special function control
 

[CRASH]	To get out of a crash, select a manual scan for the axis to move and hit the CRASH key repeatedly. The axis will move with small steps in the selected direction. When the crash situation is dissolved, the axis will start moving continuously.
[CLEAR]	clears the display and input buffer and also stops the manual selected move function.
[MOVE] [CLEAR]	stops the manual selected move function.
[SPEC] [CLEAR]	clears current display and input.
address [MOVE] [0]	displays contents of "address"
[SPEC][CRASH]	simulate 'CRASH + TAB'

Contents of windows
 

Window 2	always normal information as described above.
Window 4	during scan: pos 1,2: axis pos 3: direction pos 4: speed  during move:  wanted position
Window 6	during address display: selected address

Special conditions.

If after loading of the monitor program the CL0> prompt will appear on the issuing  terminal, the baudrate for the CAD4 terminal is displayed on the pocket terminal.  The baudrate for communication to the CAD4-terminal can be adjusted to 1200 baud by keying "1200 [MOVE][PAUSE]" on the pocket terminal. This function is useful at first-time installation. The CAD4 terminal baudrate is entered/changed by the CASPAR routine and will be loaded accordingly at each restart.

CAD4 operator I/O rules

Output Rules
 

CD0>	The CAD4 command interpreter prompt. This prompt is used to indicate that the command interpreter is ready to accept a command. The operator may now type any available command and terminate/enter it with a carriage return <CR>. If the command entered is not a valid CAD4-command, the command interpreter will print "Illegal command!".
'	The parameter prompt. Routines which examine and/or modify parameters use a single quote to prompt for the name of a parameter to be examined and/or modified.

Input Rules

Because the HOST terminals are connected to the HOST computer they can communicate also directly with the HOST operating system. The CAD4 terminal however is connected to the CAD4 interface and can only communicate with the CAD4 program. Therefore some differences exist for these two environments. Those characters for which HOST is indicated are active only on HOST-terminals. All input is buffered and remains under the control of the operator (for inspection, correction or rejection) until the line is terminated by a carriage return or NEWLINE. Each line must be terminated by a carriage return or NEWLINE.

Commands must be typed on the line following the prompt. Blank lines entered will result in error messages. Questions requiring a yes or no answer should be answered thus:

Type "Y" or "YES" for yes
Type "N" or "NO" for no

The following special characters are recognized:
 

CARRIAGE RETURN	Mandatory line terminator(in examples "<CR>")    (NEWLINE)
RUBOUT (DELETE)	For correcting typing mistakes. Removes the last character typed from the input buffer. Characters may be deleted backwards to the beginning of the line
CONSW	This command (console-switch) is used to redirect the terminal input/output of the CAD4-program from the CAD4 terminal to a HOST terminal or reverse (see Starting and Stopping the CAD4 Programs ).
CTRL/C	Produces prompt "CA0 Enter switch option:", the CAD4-operator may now change the switch register that controls optional output. For a description of the "switch option" see Interrupting the CAD4 program and Starting and Stopping the CAD4 Programs.

Numeric input

Free-format numeric input is provided by a special number input routine, FLINP. FLINP accepts up to seven numbers per line in integer or decimal format. Input may be either decimal or integer regardless of the type of variables referenced; appropriate conversion will be performed as required. There is no special prompt for numeric input since numeric input is always on the line following the command or prompt requiring it. (In some cases there will be two or more consecutive lines of  numeric input without additional prompts).

Numeric Input Rules

• All operator input rules apply, i.e. each line must be terminated with a carriage return, etc.
• Negative numbers must be immediately preceded by a minus sign (-). The plus sign (+) is optional for positive numbers.
• A number is terminated by typing a non-numeric character, i.e. space or slash, comma, etc. The terminator may belong to the next number, i.e. plus or minus. The decimal point may be used as a terminator if unambiguous. Leading and trailing zeros are optional. Slash (/) is a valid input number. It is used in place of a number and leaves the value of that number unchanged. Multiple slashes do not require separators.

3 2 /

First=3, second=2, third is unchanged /.

Interrupting the CAD4 program

The CAD4 program may be interrupted in three ways:

• The goniometer action may be interrupted immediately by typing CTRL\  (control backslash), followed by a space or <CR>.
• Switch xxx1 - A safe program interrupt; the program finishes the current scan. All automated routines, such as data collection and crystal centering, etc., check the status of the Switch xxx1 before each measurement.
• The switch is set by typing CTRL/C on the terminal. The operator program  responds with "CA0 Enter switch option:". Type +1 or for instance 5201. When the program finds that Switch xxx1 has been set, it prints the message, "Switch xxx1". The program then asks "continue Y/N:". Answering N causes return to command mode (CD0>). The switch is automatically reset.

The other data collection error halts: Crash-switch detected, Generator problem, Positioning time-out error, Shutter problem, Fading, Orientation are handled by the operator in the same manner as Switch xxx1, after the problem has been corrected. See CAD4 ERROR MESSAGES.
• Switch xxx2 - A safe program interrupt; the program finishes the current scan and the current procedure for this reflection. This switch is set by typing CTRL/C on the terminal. The operator program  responds with "CA0 Enter switch option:". Type +2 or 5202. When the program finds that Switch xxx2 has been set, it prints the message, "Switch  xxx2". The program then asks "continue Y/N:". Reset the switch by typing CTRL/C on the terminal. The operator program responds with  "CA0 Enter switch option:". Answer -2 or 5200.

Optional terminal output is selected through the CAD4 operator programs switch register option or through the pocket terminal. Specific switches (bits) must be set to 1 to enable output, or set to 0 to disable output. A switch register setting of 7740 will enable all optional output.
 

Example:	!during data collection
CD0>datcol<CR>	!Type CTRL/C
CA0 Enter switch option:7400<CR>
CD0>

On the CD0> prompt the switch can also be set by the command SETSW 7400. To read out the switch value one can use the command SHOWSW.
 

SR=4XXX	Data collection information (record type 1) is printed for each reflection. See Data Collection Output 1 H K L 6CODES PSI  +or-NPI  BGL  INT  BGR  NETTI  SIGMI This line contains:   1 Record type H, K, L Indices PSI Rotation angle around the scattering vector at which the reflection was collected. NPI  Speed indicator for the master motor. A minus sign indicates the attenuator was set. BGL The intensity sum of 16 low theta steps. INT  The intensity sum of total scan. BGR The intensity sum of 16 high theta steps. NETTI Nett intensity scaled for NPI=1, if followed by "F" attenuator was used but attenuation factor had not been applied. SIGMI Calculated sigma(I) scaled for NPI=1. The codes are:  1 - reflection type 2 - goniometer status 3 - balanced filter status(old hardware only) 4 - intensity status 5 - non-equal test status 6 - minimum absorption status
SR=2XXX	Reflection centering profile. Each profile produced by the centering routine is printed. This will occur during SEARCH, PHOTO, SETANG,  DETTH, ALIGN, OTPLOT, SET4 and during data collection orientation control. The same profile is also printed during SCAN.                        111111                 123579900120086433331 101011303136222572393391304098956543621312101211 1 0 3 0 N 0 8 The 96 step profile is, for output to the terminal only, reduced to 48 steps. Each step is presented in a vertical line from bottom to top, with the units placed on the bottom, the tens placed next, etc. To the right of the profile the scan information is printed:   1 INCR1 - signed increment for the master motor 0 Master motor - Omega, Theta, Phi, Kappa. 3 NPI - scan speed parameter for the master motor. A minus sign indicates the attenuator was used. Scan Speed = (16.49/NPI) deg/min. 0 INCR2 - signed increment for the slave motor N Slave motor - Omega, Theta, Phi, Kappa, No motor. 0 SCANT - Determines the speed of the slave motor relative to the master motor. 6 indicates the same  speed, n means n/6 times the speed. 8 ISCANW - Width parameter for the scan. The scan angle for the master motor is: INCRI*ISCANW*0.066 degrees For more information about scan parameters, see SCAN During SEARCH the profile of the PHI scan is printed only if SR contains 24XX.
SR=1XXX	Reflection centering information. Two different type lines may appear Type 1: During data collection orientation control a line like the following is printed after centering a reflection: +or-N 0.000 3.000 2.000 0.001 3.004 2.005 0.024   N LISTNR   the CRYSTAL file line number of control reflection -N NREFL   Output reflection counter when  normal reflection is used for orientation control 0.000 3.000 2.000 Indices of the reflection 0.001 3.004 2.005 Fractional indices of the reflection as calculated from the orientation matrix and the new position. 0.024 Difference angle between the nominal and the measured scattering vectors in degrees. This type of output is useful to follow a slipping crystal during data collection. Type 2: During other centering procedures a line like the following is printed after centering a reflection: 5 T8.458 S 101.556 15.528 -23.900 93.805 7.777 -18.248   5 LISTNR - the CRYSTAL file line number T Theta angle status code (* or T). 8.458 Theta angle S Status of the angles. 101.556 PHIK (KAPPA geometry angles) 15.528 OMK -23.900 KAPPA 93.805 PHIE (EULERIAN geometry angles) 7.777 OME -18.248  CHIE This type of output is useful during goniometer alignment, with other output suppressed.
SR=X4XX	SEARCH, PHOTO profile and information. Each profile produced by the search routine is printed, along with other pertinent information from the search process. For example: 63 PEAK 9.075 DISCR 6.724 BGR 0.925 ANGS: 12.000 65.387 -0.988 39.487                       1 134112401140114023104123420037401120101003231121 -12P 1 0 N 0 38 The profile is a normal profile as previously described, of a PHI scan over 30 degrees (=12*38*0.066 degrees). 63 is the location in the 96 step profile where a peak has been detected.   PEAK 9.075 The intensity of the peak. DISCR 6.724  The calculated acceptance level for a peak. BGR  0.925 The average number of counts per step, background. ANGS: 12.000 65.387 -0.988 39.487 Approximate values for Theta, Phik, Omk and Kappa as calculated from the Phik-scan. This information can be used for manual intervention; for example, when the reflection profile shapes are highly abnormal or when the SETPAR values used are wrong and the centering routine of SEARCH or PHOTO do not succeed. Up to 7 peaks may be thus described from one PHI scan. If the value of PEAK exceeds the value DF*DISCR, where DF is the search input parameter, the program will try to center the peak found.
SR=X2XX	Least squares fractional indices. The least squares routine used to calculate the orientation matrix from a list of centered reflections in the CRYSTAL file calculates and prints the fractional indices of each reflection used in the process, based on the new orientation matrix. Also printed is the difference angle between the nominal (integer indices) and the calculated  scattering vector in degrees. This type of output is useful in judging the quality of the new orientation matrix and the angular deviations for the individual setting angles. (see Crystal Orientation Routines )
SR=X1XX	INDEX asks to supply direct or reciprocal cell-dimensions.
SR=XX4X	SETANG will print the changes in setting angles since the previous centering cycle.
SR=XXX2	OTPLOT, LEARN and ALIGN will stop after the complete measurement on the current reflection is finished.
SR=XXX1	The CAD4 will stop after the current movement

**   To obtain any combination of the above options set the switch register to the sum of  the appropriate settings.

SUMMARY
 

Code	Information printed
4XXX	Results from DATCOL
2XXX	Profiles from SEARCH, PHOTO, SETANG, DETTH, SET4, OTPLOT, ALIGN
1XXX	Integral and fractional indices DATCOL orientation control, final setting angles in Eulerian and Kappa geometry from SETANG,  DETTH, SET4, ALIGN
X4XX	Background, peak, descriminator value and approximate setting angles from SEARCH, PHOTO
X2XX	Fractional indices, angular deviations from INDEX, REIND and LS.
X1XX	To input known cell-dimensions, INDEX
XX4X	Calculated corrections SETANG.
XXX2	OTPLOT, LEARN and ALIGN soft interrupt
XXX1	soft interrupt

Indirect command files

The CAD4 program is capable of processing commands in batchmode. The commands and input parameters must be stored in an INDIRECT PROCEDURE file on the HOST computer. The commands can be executed by typing @file_name. The indirect command mode can only be invoked on a HOST terminal.

Examples: a file for example PRIME.CAT can be created using an editor with the following contents:

SEARCH                       invoke the search program
10 20 180                    theta and chi starting values and phi-range
12 2.5                       speed parameter and discrimination factor
LCA                          change angle status
1 25                         for reflections 1 to 25
AAAAAAAAAAAAAAAAAAAAAAAAAAAA into A
Y                            confirm the change
SETANG                       determine the angles
DETTH                        determine the best theta values

The above "programmed" procedure is started by typing    CDO> @prime.cat<CR> or @prime<CR>

The .cat files should be in the ca'n'_data directory. Otherwise the whole directory path should be given with the filename.

The following example is a CAD4 command file where a second data collection is started after modifying the data collection parameters and assigning a new file for data a collection in a different theta shell. Use the editor to create a file shell.cat with the following contents:

DATCOL                           start first data collection
DATCIN                           data collection input
M                                select modify mode
TEXT                             modify text
DATA FROM 5 TO 20 DEGREES THETA  new text
THLIM                            modify THLIM
5 20                             new THLIM
MODE                             modify MODE
ZIGZAG                           new input
0 12 0 12 0 15                   new input
0 0 0                            new input
LKH                              new input
INT                              modify INT parameters
/.03,4,60/                       adapt SIGMA, NPIPRE and MAXTIME
Q                                exit from modify mode
S                                exit from DATCIN and SAVE input
GONCON                           call GONCON routine
FILDAT                           select FILDAT option
Y                                request a new file
SHELL2.DAT                       new file name
Y                                request creation of the new file
Q                                exit from GONCON options
DATCOL                           start the second data collection

This procedure is started by typing @shell.cat<CR> or @shell<CR> in response to CD0>.

Instead of @file_name also &file_name can be used. With &file_name there are the following differences:

-   the operator may use wild cards in the file_name,
-   if another & command is encountered within the command file the current command file will be closed and deleted and the specified command file will be executed.

The & command is especially useful in the automatic procedure described in chapter  XIV.

CAD4 error messages

(LISTNR refers to line number in the CRYSTAL file)
 

'Chi high'	The translation from E to K is not possible; the CHI required is  greater than 100 degrees.
'collision'	A physical collision was predicted at the requested goniometer position.
'crash-switch detected'	Detector or collimator collision, or collision switch malfunction. For recovery procedure see crash recovery.
'emission limit'	Emission limit exceeded.
'Full list'	LD - the CRYSTAL file contains the maximum 25 reflections. No more may be added.
'generator problem'	The X-ray generator is off or the shutter did not open/close upon command. This message is only given when the X-rays are needed, e.g., for a scan. A datacollection interruption. See note below.
'hard interrupt'	After pocket terminal commands [SPEC][CRASH].
'Illegal command!'	Input was not a valid CAD4 command or when typing LG  and linenumber - the line requested was empty.
n'Last inputs'	Numeric input. Operator did not supply the proper number of values. n more must be supplied.
'No hklist'	Data collection, MODE = FILE. The file linked to logical unit 3 did not contain a list of  indices. See DATHKL.
'Orientation'	Data collection interruption. The crystal was reoriented but the results were not satisfactory. See note below.
'positioning time-out error'	Position error. The goniometer could not be positioned properly within 10 minutes. If not, and system software is good, service may be required.
'Short list'	Fewer than 3 reflections were available when INDEX, TRANS, RE-IND or LS is attempted.
'Singular'	Singular messages indicate lack of sufficient information to perform the requested function. Ri-SINGULAR indicates that the determinant is zero.
'shutter problem'	The primary beam shutter does not fully open or close.
'strong'	The reflection as measured has more than 50000 c/s. If the attenuator was not set it must be inserted. If occurred during scan, repeat the scan with a negative scan speedz (N). If the attenuator had already been set, the reflection is too strong to measure correctly.
'switch xxx1'	The program was interrupted by the operator with switch  xxx1 set.
'Theta imp'	The translation from C to B cannot be made; the Theta value required is physically impossible.
'theta limit'	The Theta value specified by the operator is not in the range THMIN- THMAX as stored in GONCON.
'user interrupt'	After CTRL\ (<CR>) from the HOST terminal.
'###0111F Newfile: Not creating xxxxx.cry, it already exist'.	With NEWCRY a filename was given of an already existing file. Respond with / or q to continue.
'###0121F Newfile: Not creating xxxxx.dat, it already exist'	With NEWDAT a filename was given of an already existing file. Respond with / or q to continue.
'###0131F Newfile: Not creating xxxxx.hkl, it already exist'	With NEWHKL a filename was given of an already existing file. Respond with / or q to continue.
'###0110F Oldfile: yyyyyy.cry does not exist'	With OLDCRY a filename was given of a not existing file. Respond with / or q to continue.
'###0120F Oldfile: yyyyyy.dat does not exist'	With OLDDAT a filename was given of a not existing file. Respond with / or q to continue.
'###0130F Oldfile: yyyyyy.hkl does not exist'	With OLDHKL a filename was given of a not existing file. Respond with / or q to continue.

Operations carried out on the reflections of the CRYSTAL file list, or operations trying to fill the CRYSTAL file list, may cause the following messages, which are always preceded by the listnumber involved:
 

'Chi high' 'Collision' 'Th limits'	Listed position cannot be reached and the concerning line is deleted from the CRYSTAL file.
'not found'	Reflection cannot be found and the concerning line is deleted from the CRYSTAL file.
'Noise'  'Weak' 'Strong'	Intensity profile remark, the angle status is Reset to "no valid information"
'too strong'	Reflection is too strong to be measured by OTPLOT.
'Fading 0/4000 <<0.50'	A data collection interruption because an intensity-control reflection has become unacceptably weak.  Check generator settings and alignment of crystal.
'Rotating anode generator down, has about 3 minutes to restart'	After an automatic restart of the RA generator the programs will automatically resume the measurements.

Note:

All non-fatal data collection interruption, and some interruptions of other automated routines, do not automatically return to command mode. An opportunity is given to correct the problem and continue the routine.

Some interruptions which do not return to command mode (CD0>) will ask "continue Y/N:" or Repeat Y/N. The operator will now respond with Y or N, depending on whether or not he wishes to continue, e.g.:

GENERATOR PROBLEM /<CR>
continue Y/N: N<CR>
CD0>

In other cases the error or warning should be responded to with a slash '/' or  Q<CR> to return to command mode.