TitriSoft 2.5
TitriSoft 2.5
Content
TitriSoft 2.5 ................................................................................................................. 1
Content ....................................................................................................................... 2
General Remarks ....................................................................................................... 3
Requirements of TitriSoft 2.5 ...................................................................................... 4
Installation .................................................................................................................. 5
General Strategy ........................................................................................................ 7
Hardware Center ...................................................................................................... 10
Method Center.......................................................................................................... 13
Titration Center......................................................................................................... 28
Data Base................................................................................................................. 33
How to Use Calculation Features ............................................................................. 36
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TitriSoft 2.5
General Remarks
TitriSoft 2.5 allows the titration with the following Schott burettes, sample changers
and titrators:
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TitroLine alpha plus
TitroLine alpha
TR 250
T 110 plus
T 200
T 110
T Universal
T 97
TW alpha plus
TW alpha
TW 280
The titration itself is controlled by the software. It uses the measurement entrances of
the titrators and the burettes completely free in its methods. So it is possible to use
another burette than that built in the titrator.
The hardware is connected “in a row” to one serial port of the PC. So the first unit is
connected with its first serial port to the PC. The second serial port of the unit is
connected to the first serial port of the second unit, e.g. burette or titrator. 15 units
can be connected to one serial port. All units in such a “row” must have a different
address. The address can be set in a unit described in its manual.
Attention: TitroLine alpha must be the last unit in such a line or row!
Such a row or line of titration hardware is called “Configuration”!
Please take the part umber of the cables from the manuals or from the price list.
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TitriSoft 2.5
Requirements of TitriSoft 2.5
TitriSoft requires at least:
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64 MB RAM
600 MHz processor
10 GB hard disk
WIN 98, WIN NT 4.0 Service pack > 5.0, WIN 2000, WIN XP
MS Internet Explorer 6.0 or higher or installation of MS Data Access software
(driver in the TitriSoft installation directory)
If other programs are used (e.g. MS EXCEL) more RAM is necessary. 128 MB are
recommended.
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TitriSoft 2.5
Installation
For using the software three steps are necessary:
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Connecting the hardware to the PC
Installation of the software
Configuration of the Methods and Worklists
The connection of the titration hardware is shortly described in the first part of this
short manual. The installation of the software follows the typical procedure of any
software installation of a PC.
Start the WINDOWS EXPLORER and start the installation with a double click of the
left mouse key onto the file “setup.exe” on the installation CD.
After this you have to go through several windows of the installation procedure:
- Licence agreement
- Last information regarding requirements and other hints
- Use name and company name
- Installation path and disk
We recommend to read the information in every step and to confirm the preset
information and settings. After this the installation of the software starts automatically
into the directory:
”c:\programs\Schott Geraete GmbH\TitriSoft 2.5”
After this setup you can leave the installation software. A restart of the PC is not
necessary.
TitriSoft now can started under “START”, “(ALL) PROGRAMS”, “TitriSoft 2.5”
For the first start the drive and directory of the TitriSoft database must selected. The
following picture shows the window for the selection.
Selection of the data base directory
The filename for selection must be:”TitriSoftv25.mdb”. After this procedure the login
of TitriSoft can selected in the task line of the screen:
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TitriSoft 2.5
Click to TitriSoft
symbol in task line
to show the login
window.
Login of TitriSoft
For the first start of the software some users with their password are defined:
Name
op
user
ad
Password
op
user
ad
Level
operator (start titrations in the Titration Center)
user (create Configurations, Methods, Worklists)
administrator (additionally deleting)
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TitriSoft 2.5
General Strategy
The main menu of the software is the “Navigator”. The Navigator shows the four
Center of TitriSoft:
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Titration Center
Data base (Revision Center)
Method Center (Analysis Center)
Hardware Center (Maintenance Center)
The general concept of using the software is an “Explorer” like window on the left
side and a detail window on the right side:
Explorer part of the
window. If you
select a line, you
will find the details
on the right side in
the main window.
Main window.
Here the name of
the Configuration
is typed in.
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TitriSoft 2.5
The first step is making a “Configuration” in the “Hardware Center”. In this
configuration all titration units are defined and scanned. In this Center also the users
are defined and the “Trace“ possibilities can be configured.
Three different levels of access to the software are possible:
Operator:
User:
Can start titrations, organise the Worklist, print results and curves
Can use all functions of the software, but can not delete Configurations
or Methods (“Analyses”) or titration results.
Administrator:
User access and the possibility to delete methods and results
After the hardware in the configuration is scanned, it is possible to create methods.
This is done in the “Analysis Center”. In the Analysis Center are defined:
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Methods
Reagents
Variables
Two Configurations
and available variables
for the methods
Possibilities for making
new methods.
The method is made out of method elements. The two most important method
elements are titration loops and calculations. Titration loop means the definition of all
parameters, which define a titration: End criteria, titration speed, measurements
units, volume control, and selection of burettes. In the calculation all equivalent
points, end points and variables can be used for result calculation.
The next step after finishing a method definition is the creation of a worklist. The
worklist is defined in the “Titration Center” and includes the handling of the sample
and the documentation of the result. It includes the single titration as well as the
sample changer usage. The documentation can define as table. list with small
titration curves or single sample print out with a full paper graphic.
Selektion of
Konfiguration
Sample list.
Ready to start
the titration
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TitriSoft 2.5
After a titration all results and the titration curve are stored in the data base. The
access to the data base is possible in the “Revision Center”. Here it is possible to
select the titrations by Method or sample identification or date.
For users or operators it is not possible to delete a sample out of the data base. The
graphic allows displaying equivalence points in the graphic, derivatives and zooming.
Detailed sample
information, like
calculated results
Selection of
the sample
Titration curve with
equivalence point
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TitriSoft 2.5
Hardware Center
The Hardware Center is the first step of using TitriSoft. The single steps are:
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Connect all hardware
Switch it on
Make a new configuration
Give it a name, which makes it clear, that this is the hardware, you are using.
Select the connected com-port
Decide, whether a balance is connected or not
Scan the hardware. Every connected unit (burette or titrator) should be listed
Click to the menu to create a new
configuration. The next step will be the
window in picture no. 2!
Picture 01: Example for a Configuration with the name “TL alpha plus with Sample Changer”
Picture 02: Name input for the new configuration. The possible com-ports are listed in the list box
below the name of the configuration. If you want to connect a balance, mark it in the last row.
Picture 03: A list of two configurations. It is important, that every Configuration has a different com port
Picture 04: Overview over two Configurations. The second configuration is marked and its details are
shown in right part of the window.
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TitriSoft 2.5
Press to „Scan“ fort he
recognition of the connected
hardware.
Select the
correct
Configuration
Picture 05: Click to the menu “Hardware” and to the menu point “Scan”.
Picture 06: The listed hardware after the check. In this example a TitroLine alpha plus and a sample
changer TW 280 are found.
It is important, that every device is found. If a hardware device is not shown in the list, like in picture
06, it can not be used in any method.
It is not possible to use in one method the hardware of two different Configurations.
Now the connected hardware is available for all methods. The next step is the configuration of the
different user types with their names and passwords.
Create a new
user.
Mark the
„Users“ on the
right side.
Picture 07: New users with different access possibilities.
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TitriSoft 2.5
Select the access
possibilities for the new
user.
Picture 8: input of a new user
There are different types of user for TitriSoft:
Operator:
User:
Can start titrations, organise the Worklist, print results and curves
Can use all functions of the software, but can not delete Configurations or Methods
(“Analyses”) or titration results.
Administrator: User access and the possibility to delete methods and results
It is necessary to type in the name and the password of the new user. The name and the password
are required to have access to TitriSoft.
The last users can
select their names for
faster access.
Picture 09: Program Access with name and password
After the configuration of the users, the settings for the tracer and log-files are the last step in the
configuration of the software.
For detailed tracing this
point has to toggeled
on.
Picture 09: Switching on or off the log files
The standard configuration of the log files are some basic settings for starting and leaving TitriSoft and
starting and finishing worklists and titrations.
A more detailed form is the “Trace all” function. In this mode even every serial command is traced in
the log files. The available log files are listed in the explorer window on the left side. Clicking to a log
file will show the whole content onto the screen.
It is possible o refresh or delete trace files, if the user has the necessary level.
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TitriSoft 2.5
Method Center
In the Method Center (Analysis Center) all methods and variables of the system have to be defined. In
the first step you can define:
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Methods
Reagents (Chemicals)
Results
Global Variables
Sample Variables
Reagents have following properties:
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Name
Titre
Date of determination of the last titre
Allowed minimal value
Allowed maximal value
Picture 10: Definition of reagents or chemicals
Results have the properties:
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Name
Allowed minimal value
Allowed maximal value
Global and Sample variables have the properties:
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Name
Value
Allowed minimal value
Allowed maximal value
Picture 11: Global variables, examples
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Picture 12: Sample variables. examples
The difference between both is the purpose. Global variables are necessary to transfer values
between different methods. One example is the blanc value, which is the result of one method and
used as a part of calculation in another method. Sample variables are used in a Work List for the input
of values, which are used in the calculation, like density or other sample properties.
All of the variables are also possible to define during the creation process of a new method.
The most important thing is the creation of a new method. TitriSoft supports powerful features, easy to
use, for the control of a titration or other tasks, using dosing units, titrators or balances.
Mark the
Configuration,
which is used
by the method
Click to “New”
in the menue
“Analysis” for
creating a new
method.
Picture 13: Creating a new method
Picture 14: Name for new method
The next step is to give the method a clear name, so that everybody recognises the purpose for this
method. The name can contain blanks and small or capital letters. Confirm with “ok”.
For editing the method, select the method from the left explorer side with the mouse.
Select the new
method with
the mouse.
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Picture 15: Selection for editing a new method
Click to “Analysis Flow” to
complete the method
Mark the name
of the method
Picture 16: General information of a method before the introduction of the analysis flow.
The method of a titration is set up with so called method elements. These method elements can be
selected from the menu in the Analysis Flow. There are three different menus.
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Edit (edit function, like “insert”, “edit” or “delete” an item)
Operation (features like titration loop, measurement, dosing, if condition, repeat until)
Utils (features like waiting time, stirring, message during titration, reset of curve)
Picture 17: Edit menu of Analysis Flow
Picture 18: Operation elements of methods
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Picture 19: Utile functions for methods
Picture 20: First step of the method in the “Analysis Flow” is the “Titration Loop”
On the right side the overview of the new method appears, but does not contain any information about
reagents, type of titration or any calculation. This has to be configured in the “Analysis Flow”, There
the first step is the “Titration Loop”. The Titration Loop contains all parameter regarding the titration.
The titration parameters are:
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Titrator (Address and type, measurement entrance)
Reagent (selection out of list or input)
Burette (Address and type)
Type of titration (Dynamic, linear,..)
Measurement unit (pH, mV,..)
End criteria (EQ, ml, pH,...)
Titration speed (fast, exact,. custom)
Step control (Strong jump, flat,. custom)
Every parameter has to be select from a list box, which appears after marking a line with the mouse.
Picture 21: Selection of an item in a list box after marking of the actual line with the mouse
Marked line
with the
selection
possibilities.
The different
possibilities to connect
electrodes to a
TitroLine alpha plus:
Two times pH or mV,
µA for Dead Stop
methods and
temperature.
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TitriSoft 2.5
Selection of the Titrator and
pH or mV mode
Selection of the Titration
mode: Dynamic, Linear, End
Point, pH-Stat
Stirring speed
Adress of burette
Titration reagent, the titre is
available in the calculation now
Burette fills at the end the
titration automatically
Titration stopps at pH 10,5 (or
at the first true end criteria)
Titration stopps at 10 ml (or at
the first true end criteria)
Picture 22: Parameter for a dynamic titration
Titration stopps at an
Equivalence point, if configured
Titration has a strong jump
The following parameter define a “Dynamic Titration”. The first three settings define the titrator, the
type of titration and the stirring speed. All details of titrator properties. The next three settings define
the burette and the reagent. The last settings define the titration parameter, when the titration should
stop, how fast etc.
Setting for titration speed and
drift control of electrode signal
(stability of measurement
values).
Setting for titration step contro
wit max. or min. step size. Also
the intensity of the first
derivative as end criteria is
defined here.
Picture 23: Custom settings for dynamic titration
The settings for the drift are:
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Measurement interval in seconds for checking the drift
Drift criteria in mV/min
Minimum waiting time for drift check
Maximum waiting time in case, the signal is not yet stable
The criteria for the step control are:
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TitriSoft 2.5
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Minimal dosing volume for every step of the titration in ml
Maximum step volume in ml
Curve shape as one parameter, can received from application data base or by phone from
Application Laboraty of Schott
Curve shift as one parameter, can received from application data base or by phone from
Application Laboraty of Schott
Equivalence sensibility in mV/ml or pH/ml as end criteria for the titration. The value can
received from the top of the first derivative of the graphic in the Data Base.
The parameter of an “End Point Titration” differ a little bit. The end point is watched for an end point
delay time in seconds. During this time the titrator goes on adding reagent, if the actual measurement
value falls down the end point. The control of the titration is dynamic up the limit, we define as a delta
value, seen from the end point. This delta range we can define linear steps, as small as necessary for
a defined accuracy.
Settings for End Point Titration
and titrator selection
Selection of the burette with the
reagent and the filling options
Options for the End Point
Titration
Drift criteria for the End Point
Titration
Picture 24: Parameter for an End Point Titration
The settings for the End Point Titration are:
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End point in pH or mV
End point volume in ml (beaker should not be too full)
End Point delay (in seconds, time the end point must be stable to stop the titration. If the
actual measurement point decreases below this point, the titration goes on and delay time
starts new)
Delta pH or mV (a window in which the titrator titrated fix volume steps)
Linear step in ml (size in ml for the usually small steps in the region of the end point)
Direction of the curve (with dynamic part )
Titration speed (drift control same as for dynamic titration)
The “Linear Titration” is similar to the dynamic titration. The main difference is the same volume for
every step of the titration curve.
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There are still applications, which require linear titrations. Like TAN, Total Base Number. Typical for
such an application are quite flat curves or noisy signals.
Selection of titrator and titration
mode
Selection of burette, reagent and
filling options.
Titration parameter for the Linear
Titration
The volume for every step of the
titration curve
Drift parameter and end criteria
are the same as for a Dynamic
Titration
Picture 24: Parameter for a Linear Titration
A titration can contain also other elements. In most cases other elements will not be necessary. Then
a calculation will follow. In this case the other possible method elements are described and the
formulas follow at the end.
The titration is sequence of “Measurements” and dosing steps. This can also be used “stand alone”.
Picture 25: Measurement
Selection of the titrator, where
the elctrode is connected to.
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The drift control of the
measurement. Same parameter
as for a dynamic titration
TitriSoft 2.5
Selection of the burette and the
reagent.
Picture 26: Dosing parameter
Selection of the titrator, where
the elctrode is connected to.
The “Dosing Function” has a special feature. The volume is not a value, which must be typed in.
Instead of such a fix value, a formula is used. This formula is started by a mouse click to the three
points, which appear, as soon as the line with the volume formula is marked. The formula can used to
give in just a value, but also can include complex calculations, using all variables of the software.
Picture 27: Formula editor for using to define a dosing volume.
The picture 27 shows an example, where a variable is used for defining a dosing volume. There is
defined in the Method Center a sample variable with the name “Dosing Volume”. This variable can be
selected here. The same variable can be part of the Sample List in the Titration Center. Here the user
can set the volume, which will be dosed in the method.
In most cases the formula editor is used, just to type in the value of the dosing volume.
Some features, which are only used for special applications are the “Repeat and If Loop”.
The Repeat Loop allows starting method elements in the loop for a defined number of times. This can
be used for dosing steps with different, calculated steps or dosing volume in combination with
measurement values.
Like the input of the dosing volume is the formula editor used to define the number of repetitions or the
calculated variable, which define the number of repetitions.
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Picture 28: Repeat Loop
The “If-Statement” is built in the same way. The method elements inside of the loop will start, if the
criteria is true. The criteria is a calculated value or a variable. It also can be e.g. a measurement value.
So a titration can start with different reagents, depending on the start pH of a sample. In the “Else” part
of the loop it is possible to use an alternative titration as an example.
Picture 29: If-Statement
The picture 29 shows the “If-Loop” with a certain start pH-Value to do the following loop.
Picture 30: Utility functions
Several utilities give more flexibility for method construction. The utilities are:
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Switch of I/O-ports
Delay time
Stirring speed
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TitriSoft 2.5
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Messagebox
Clear curve function
The “I/O Box” function is mostly used for rinsing or similar functions. There are different devices,
which have the hardware support of I/O ports:
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T 200
T 110
TW alpha
TW 280
Adress and type of I/O
port
Number of switch (or
pin, which usually is
the same)
Time, the switch is set
to on (if marked) or off
(if not marked).
Picture 31: I/O Ports
Turn switch on as long
as defined in the next
line.
Picture 31 shows the I/O port possibilities and how to use. As an example for rinsing of the built in
switch for the pump of the sample changer for five seconds use the following settings:
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Selected IO port:
Switch:
Turn switch on:
Delay time for toggle:
TW 280 Address 03
0
on
5
The “Delay Time” can be used for stirring times or reaction times. The setting can be seen in picture
32.
Delay time in seconds
Displayed text during
waiting time for
information.
Picture 32: Delay time
The “Stirring Speed” is a function for exact control of the stirring speed during titration or
measurement. So it is possible to reduce the stirring speed during a pH measurement and to increase
the stirring speed during titration.
Picture 33: Stirring speed
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It is possible to set the speed from 0 to 9 in ten levels. ATTENTION: It is possible to adjust the stirring
speed with manual potis at the sample changer and the magnetic stirrer! Take care of the correct
settings of these manual potis.
The “Message box” gives the chance to give instructions to the user during a titration or other
functions of TitriSoft. The message stay active on the screen until a key is pressed. In case of a
manual addition of a reagent, the function can used to wait until the user is ready and presses a key.
Picture 34: Message box
The “Curve Reset” is the last utility. It is used to reset the graphic and the titration volume in cases of
predosing. As a standard all volumes, dosed or titrated are displayed on he screen and added to one
titration curve. In some cases it is interesting to see all additions of reagent in one graphic. In other
cases the procedure should be: Predosing, Curve Reset, Titration! The graphic and the titration
volume starts after the predosing in this case.
In the Formula Editor all single volumes of all reagents are available each independent of the graphic.
In several cases the “Formula Editor” was used. The main function of the formula editor is the
calculation of titration results.
The following pictures show the general functions of the Formula Editor. The next steps are the
documentation of an equivalence point and the example calculation of % Chloride in a sample.
Type of the variable
Name of the variable, in
this case the name of the
result, which will be shown
in the documentation.
Degree of smoothing
Calculation window fort
he equivalence point.
The EQ will only be
calculated between the
volume limits.
Number of decimal places
Number of calculated
equivalence points.
Calculation window fort
he y-axis.
Click to the points to
come into the editor
itself!!
Picture 35: Formula editor. Example calculation of equivalence point.
All the functions can be seen in the following pictures and their descriptions.
The “Value Menu” shows all the variables, which are available at that point. The available variables
depend on the structure of the method. For a dosing volume there are less variables available than for
a titration with several reagents.
The variables are:
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Amount (Sample weight or volume, input in the Titration Center)
End volume (the total volume of the titration reagent)
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TitriSoft 2.5
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Global (All defined Global Variables like Blanks etc.)
Sample Data (Input variables from the Titration Center)
End Values (The last pH or mV value of the titration curve, also includes a pH or mV value
after a measurement)
Volume Chemicals (the total volume of any used reagent in the method)
Titres (the titre of any used reagent)
Already calculated results (all other calculated< result in this method)
If there are already calculated results two other variables are available:
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Mean value (the mean value of a variable can be calculated, it is necessary that the sample
identification of all titrations in the same Sample List are identically)
Standard deviation (calculation of the standard deviation of a mean value or result, same
requirements as for the mean value)
Picture 36: Variables in the formula editor
The Equivalence point can be obtained by several different calculations. Standard is the calculation of
EQs by finding the maximum of the first derivative. The EQ is interpolated also between the titration
points. The requirements for such a kind of calculations are sigma type curves. This is not true for two
other types of titration curves: Conductometric titrations and photometric titrations.
Conductometric titrations are calculated as the interaction point of two lines. So it is necessary to over
titrate enough in case conductometric curves. Noisy curves are difficult to calculate in this way,
because it is difficult to identify the two lines. The menu point for such a calculation is “LF”.
Photometric curves are calculated in a similar way. We have three different parts of the curve, a line
parallel to the x-axis for the first part, a second line parallel to the x-axis at the end of the titration and
between a line connecting these lines. TitriSoft calculated three lines through these parts of the
curves. It results two different interaction points. The first is the interaction point of the connection line
to the first part, the second is the interaction point between the connection line and the last part of the
titration. It is necessary to over titrate enough.
Picture 37:
The calculation functions are typically for a formula editor. The brackets can be used in several levels
(tested for three levels, more are possible). Special functions are square root and logarithm functions.
Especially for titration the function x at y is implemented. This means the consumption in ml at a
certain point of the pH or mV of the titration curve can be calculated.
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Picture 38: Special calculation functions
The operators are the basic functions “+”, “-“, “/” and “*” for the basic calculation modes. Additionally
the logic operators can be used for certain tasks. The main purpose in the usage in if-conditions.
Picture 39: Operators in the Formula editor
An example calculation shows the practical usage of the formula editor. The steps are:
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Give a name for the result: E.g. “% Chloride in Hydrochloric acid”.
The type of variable is “result”
The number of decimal places “2”
The number of EQs is “1”
In the editor itself select “Calculations”, “EQs”, “EQ 1”
Operator “*”
Select the Titre of the used reagent under “Values”
Operator “*”
Type in the calculation factor
Operator “/”
Under “Values” select “amount” for the sample amount as a weight or volume
The picture 40 shows the result.
Picture 40: Example calculation for % Chloride in an HCl solution.
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The ready made method must be saved by clicking to a disk symbol on the upper right side of the
screen.
A small star indicates
that the method is still not
saved
Method is saved only
after clicking to the
disk symbol!
The method elements
with the comments
Picture 41: Method before saving
The general overview of the method is shown under Analysis Info in picture 42.
Picture 42: General method information
The general information includes the hardware information, reagents and the results, which will be
calculated after a titration. Under the menu point “Analysis” it is possible to release a method as well
as printing of a method. A method has the status “Construction” as long as the method is not
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“released”. This means, changes of the method are not saved. Only the last status is shown and can
trace back. In the moment, a version of the method is released, a unique index for this method, word
wide is created and stored.
Picture 43: Releasing a method
The method can be used for titrations in both modes either “Construction” either “Released”. Changes
in a method have influence after starting the next titration. An exception are the end point criteria, they
become true directly after saving. So it is possible to stop a titration in case of wrong chosen end point
criteria.
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TitriSoft 2.5
Titration Center
In the Titration Center the routine work and the titrations take place. The procedure for making
worklists is:
Select the Configuration
Creating a new Worklist
Insert sampels into the
new Samplelist
Configurate the
Samplelist
Configurate sample
changer and
documentation
Start Titrations
Mark card
„Worklists“
Selection of the
Configuration
Picture 44: Creation of a new work list
Picture 45: New Work List
Beside the new creation of a “Worklist” also the import and export is possible. Deleting of Worklists is
only possible for the administrator.
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Name of the Worklist
TitroLine alpha Mode,
if selected
Necessary, if a sample
changer is used in this
worklist
Picture 46: Name and properties of a new worklist
The worklist can
editable or not, this is
named Queue type.
After defining the new worklist, the sample list has to be configured. The “Sample List” is a table,
where all titrations for a certain day or working period are listed. This list contains the position for the
sample changer, the method, the sample identity, sample weight and what else is necessary to start
the titrations for these samples.
After the creation of the worklist a new name appears under the name of the configuration on the left
side, the explorer side.
Picture 47: A new worklist under the selected configuration
Inserts a new sample
in sample list
Picture 48: Inserting new samples into a sample list
Inserting new samples into an empty sample list is possible by selecting the menu point or by pressing
the “Insert” key of the keyboard.
Picture 49: Sample list with the selection of methods
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After the insertion of required number of samples, the methods have to be selected in the column
“Analysis”. All possible methods are selectable in list box, if the field is marked with the mouse.
The methods must not be the same for all titrations. It is completely free, which method is selected. All
input parameters and all results, which should be shown will be configured in the next step.
Picture 50: Configuration of the properties of the Work list and sample list.
All variables of the selected methods appear in the “Properties” card. There are listed:
•
•
•
•
Name of the variables
Type of the variables
Name in the sample list, which can be changed, for e.g. to make it shorter
In three columns the properties for the sample list on screen, the print out and the export can
configured.
Variables can also added, which belong to a certain sample. Such “Sample Variables” are introduced
under the menu point “Properties”.
Picture 51: Adding a sample variable
Picture 52: Definition of a sample variable, in this case “Vordosiervolumen”
Picture 53: The new sample variable now can selected out of the list
In the next step the documentation and the sample changer are configured with the card “Settings”.
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Limits for sample
amount.
Type of report style
(table, list single)
Automatic report
into a file
Title for printout
Automatic printout
after finishing a
sample list
Sample changer
options
Picture 54: Settings for the sample changer and the documentation
The configuration of a work list includes:
•
•
•
Limits for sample amount (outside means marked colour in the sample list)
Report settings
Sample changer settings
The report style can have three different outfits:
•
•
•
Table form (Looks like the sample list on the screen)
List form (includes a small graphic and a list of all sample information and results, usually
three or four samples on one page)
Single (includes all sample information with results and a big graphic on one page)
Feature of sample changer
Number of positions
Skip empty positions
Continue with first position
Rinse type
Rinse time
% Head down for rinsing
Action on worklist end
% Head down for Titration
Possible settings
plates for 12, 16, 24 samples are available
Go on, when no beaker is detected with next
position
When all positions are titrated, start once more
with the first position
The options are no rinsing, using beakers in the
last positions or using pump like a shower to clean
the electrodes and tips
Time for rinsing in seconds
100% means, going down to the bottom, 0%
means to go down nothing. The position depends
on the high of the beakers, length of electrodes
and tips
After the ready sample list the titration head can
stay above or can go into a waiting position. In
this waiting position may be a solution for keeping
the electrodes ok for a longer time.
100% means, going down to the bottom, 0%
means to go down nothing. The position depends
on the high of the beakers, length of electrodes
and tips
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Picture 55: A Sample list ready for titration
The “Titration Start” is done by clicking to a Start symbol on the right above side on the screen. All
samples with the status “planed” will be titrated. After this the status changed to “Busy” and after
titration to “Ready”. If a titration is aborted, the status “Aborted”.
Picture 56: Sample list after titration. On the right side the start button
During the titrations the calculated results are listed in the sample list. If you click to the name of the
configuration, the on-line titration curve will be shown (“on-line graphic”). In case of several
configurations, as many graphics are possible as worklists are active.
Picture 57: Overview window for two worklists
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Data Base
All titrations are stored in the data base, the “Revision Center”. They can be sorted according several
criteria. The criteria are:
•
•
•
•
Name of Method (Analysis)
Name of sample
User
Date
Menue for data
evaluation
Data points of
the selected
titration
All sample
information
including the
results
Selected
sample
Picture of
titration curve
Selection criteria
for sample
selection
Picture 58: Revision Center overview
The selection of data is easy done by following steps:
Click to one of the items of the head lines (Ident, Analysis, User, Date), press the left mouse key, hold
it down and move above and drop it there. All samples are now listed according this property.
Picture 59: Sample information in the data base
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The sample information can be seen in an overview in the register card “Sample information”. The
data points of the selected titration under “Data points”. Usually are shown: ml-values, pH- or mVvalues, time (in seconds) and depending on the selected features also the first derivative.
Picture 60: List of data points
The menu points under “Data” allow the Printing of the selected sample(s) as a single titration or as a
list. Also export to EXCEL or to ASCII is possible. Other TitriSoft 2.5 data can be imported.
Picture 61: Data options in the data base
The “Curve” menu allows some interactive work with the graphic. The “points on” feature shows every
data point and every step. The derivative gives information about the calculation of the equivalence
points. Additional allows the calculation of equivalence points on base of conductometric or
photometric calculations. Also up to five equivalence points based on the maximum of the first
derivative can be seen.
Picture 62: Curve options in the data base
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Zooming in the graphic is possible by drag and drop of a part of the curve. Back zooming is easy done
by drag and drop backwards.
Selection of
the displayed
curve types
Zoomed grafic
with derivative
and EQ
Picture 63: Titration graphic with derivative and zoom.
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How to Use Calculation Features
TitriSoft offers a wide range of calculation possibilities. These possibilities can be used for special
calculations, automatisation or control of methods.
TitriSoft offers:
•
•
•
•
•
•
•
•
•
•
•
•
•
•
•
•
•
•
Sample weight or volume, named “amount”
End volume of titration reagent
End value of all measured values and units of the actual method
Total volume of all reagents used in the method at the actual point of method flow
Sample variables
Global variables
Titres of all used reagents in the actual method
All results calculated up to the actual point of analysis flow
Mean value of all calculated variables in the actual method
Standard deviation of all calculated variables in the actual method
Special EQ calculations for conductivity titration or photometric titration
Unlimited number of brackets
Logarithm functions
Square root function
X at y function
Standard operators
Logical operators
Access to calibration values of actual analysis
The output of calculation results is defined in the start window of “Formula”.
Name of the
result. It can be
selected from
the drop down
menu or
created new.
Number of
Eqs, selectable
in the formula
editor.
Picture 64: General settings of a formula
The number of
decimal places
for
documentation
Display of the formula. For editing, click to the line
and after that to the three points on the right side of
the this line.
The input of variables is possible at two places. The simplest possibility is to type it in, during making a
new formula.
The second possibility is to prepare all needed variables before using them ion the formula editor. The
procedure is the same for:
•
•
•
Results
Global variables
Sample data
The chemicals can also type in with the name and their titre. The dialog window is very similar
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Click to „itmes“
Selection of
the type of
variable
Already
defined
variables
Picture 65: Implementation of a new variable
Click to „New“
Picture 66: New variable or deleting of a variable
After clicking to new for making a new variable the dialog of picture 67 is displayed. In this window you
can type in the name of the variable, a standard value (which is possible to overwrite), a maximum
and a minimum value.
Name of the
new Global
Variable
Properties of
the new
variable
Picture 67: Name and properties of a new variable
After creation of the variables they are available in the formula editor in all formulas.
Attention: Only these variables are available, which are used in the method. So you have no access
to chemicals, which are never used in the actual method!
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