TitriSoft 2.5. Content

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2 Content TitriSoft Content... 2 General Remarks... 3 Requirements of TitriSoft Installation... 5 General Strategy... 7 Hardware Center Method Center Titration Center Data Base How to Use Calculation Features Seite 2 of 38

3 General Remarks TitriSoft 2.5 allows the titration with the following Schott burettes, sample changers and titrators: 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. Seite 3 of 38

4 Requirements of TitriSoft 2.5 TitriSoft requires at least: 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. Seite 4 of 38

5 Installation For using the software three steps are necessary: 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: Seite 5 of 38

6 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 Password Level op op operator (start titrations in the Titration Center) user user user (create Configurations, Methods, Worklists) ad ad administrator (additionally deleting) Seite 6 of 38

7 General Strategy The main menu of the software is the Navigator. The Navigator shows the four Center of TitriSoft: 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. Seite 7 of 38

8 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: Can start titrations, organise the Worklist, print results and curves User: 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: 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 Seite 8 of 38

9 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. Selection of the sample Detailed sample information, like calculated results Titration curve with equivalence point Seite 9 of 38

10 Hardware Center The Hardware Center is the first step of using TitriSoft. The single steps are: 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. Seite 10 of 38

11 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. Mark the Users on the right side. Picture 07: New users with different access possibilities. Create a new user. Seite 11 of 38

12 Select the access possibilities for the new user. Picture 8: input of a new user There are different types of user for TitriSoft: Operator: Can start titrations, organise the Worklist, print results and curves User: 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. Seite 12 of 38

13 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: Methods Reagents (Chemicals) Results Global Variables Sample Variables Reagents have following properties: Name Titre Date of determination of the last titre Allowed minimal value Allowed maximal value Results have the properties: Name Allowed minimal value Allowed maximal value Global and Sample variables have the properties: Name Value Allowed minimal value Allowed maximal value Picture 10: Definition of reagents or chemicals Picture 11: Global variables, examples Seite 13 of 38

14 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 Picture 13: Creating a new method Click to New in the menue Analysis for 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. Seite 14 of 38

15 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. 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 Seite 15 of 38

16 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: 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. Seite 16 of 38

17 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) Picture 22: Parameter for a dynamic titration Titration stopps at 10 ml (or at the first true end criteria) 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). Picture 23: Custom settings for dynamic titration The settings for the drift are: 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: Seite 17 of 38 Setting for titration step contro wit max. or min. step size. Also the intensity of the first derivative as end criteria is defined here.

18 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: 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. Seite 18 of 38

19 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. Selection of the titrator, where the elctrode is connected to. Picture 25: Measurement The drift control of the measurement. Same parameter as for a dynamic titration Seite 19 of 38

20 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. Seite 20 of 38

21 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: Switch of I/O-ports Delay time Stirring speed Seite 21 of 38

22 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: 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: Selected IO port: TW 280 Address 03 Switch: 0 Turn switch on: on Delay time for toggle: 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 Seite 22 of 38

23 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 Degree of smoothing Calculation window fort he equivalence point. The EQ will only be calculated between the volume limits. Calculation window fort he y-axis. Name of the variable, in this case the name of the result, which will be shown in the documentation. Number of decimal places Number of calculated equivalence points. 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: Amount (Sample weight or volume, input in the Titration Center) End volume (the total volume of the titration reagent) Seite 23 of 38

24 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: 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. Seite 24 of 38

25 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: 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. Seite 25 of 38

26 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 Seite 26 of 38

27 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. Seite 27 of 38

28 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. Seite 28 of 38

29 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 Seite 29 of 38

30 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. Seite 30 of 38

31 Limits for sample amount. Type of report style (table, list single) Automatic report into a file Title for printout Sample changer options Automatic printout after finishing a sample list 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 Possible settings Number of positions plates for 12, 16, 24 samples are available Skip empty positions Go on, when no beaker is detected with next position Continue with first position When all positions are titrated, start once more with the first position Rinse type The options are no rinsing, using beakers in the last positions or using pump like a shower to clean the electrodes and tips Rinse time Time for rinsing in seconds % Head down for rinsing 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 Action on worklist end 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. % Head down for Titration 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 Seite 31 of 38

32 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 Seite 32 of 38

33 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 Selected sample All sample information including the results Selection criteria for sample selection Picture of titration curve 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 Seite 33 of 38

34 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 Seite 34 of 38

35 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. Seite 35 of 38

36 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. Number of Eqs, selectable in the formula editor. Name of the result. It can be selected from the drop down menu or created new. Picture 64: General settings of a formula The number of decimal places for documentation 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 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 chemicals can also type in with the name and their titre. The dialog window is very similar Seite 36 of 38

37 Selection of the type of variable Click to itmes 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! Seite 37 of 38

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