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1. Introduction ............................................................................................................................ 2
2. A quick demo ......................................................................................................................... 2
3. The SIMULATION toolbox................................................................................................... 3
3.1 The SIMSPEC window .................................................................................................... 3
3.1.1 Variables (upper section, Fig 1) ................................................................................ 4
3.1.2Constants (middle section, Fig 1):.............................................................................. 4
3.1.3 Algorithms and model equations (bottom section, Fig 1): ........................................ 5
3.1.4Compile & Run button ............................................................................................... 5
3.1.5 Menu functions of the SIMSPEC window ................................................................ 6
3.2 Run a simulation............................................................................................................... 8
3.3 Make a new SIMSPEC file .............................................................................................. 9
3.4 Algorithm types ................................................................................................................ 9
3.4.1 ode23s algorithms ..................................................................................................... 9
3.4.2 Vector algorithms .................................................................................................... 10
3.4.3 Loop algorithms ...................................................................................................... 12
4. Data plotting toolbox ............................................................................................................ 14
4.1 Data import ..................................................................................................................... 14
4.2 Data plotting ................................................................................................................... 15
5.Plot window menus ............................................................................................................... 16
5.1 The Simulation menu .................................................................................................... 16
5.2 The EditGraph menu ...................................................................................................... 17
5.3 UIcontext menus............................................................................................................ 18
5.4 The Data menu .............................................................................................................. 19
5.5 Multi-graph panels ........................................................................................................ 21
6. Animations in PowerPoint ................................................................................................... 22
7. SimuPlot Commands ............................................................................................................ 23
8. SimuPlot Calc files ............................................................................................................... 23
9. Error messages ..................................................................................................................... 24
1. Introduction
SimuPlot contains two toolboxes for simulations, and data plotting, respectively. It has been
developed for bioprocess applications but can be used for many other purposes. SimuPlot5
has been developed with MATLAB version 2014b (8.4.0).
NOTE: When changing from MATLAB version 2014a (8.3.0) to version 2014b (8.4.0) MathWorks
introduced major changes in object specifications. This means that the present SimuPlot5 SIMSPEC
files (specifying simulations) currently are not back-compatible to MATLAB versions earlier that
2014b.
First time you use SimuPlot in a computer you must set MATLABs path to the folder
SimuPlot5 and its subfolders and save the path. The path is set from the MATLABs
Command windows menu (File/Set path or Environment/Set path, depending on version),
which opens a list of current paths including MATLABs default. Use the button Add with
subfolders and a browser is opened. Select the folder SimuPlot5 and press button Open.
This will add the SimuPlot5 folders on top of the previous folders in the path specifications.
Save the path setting. If you do not move or re-name these folders you do not need to repeat
the path setting next time you use SimuPlot in this computer.
The start command simuplot (case sensitive!) opens an initiation page from which the two
toolboxes are accessed (see cover page). It also initiates the global variables xy (a numeric
matrix with variable data in columns) and names (a cell matrix with column titles), for data
imported from e.g. Excel with the "Import to xy" button. If you get the error message
" ?undefined function or variable simuplot" you have not set MATLABs path correctly, or
misspelt simuplot.
2. A quick demo
For a quick demo of a dynamic and interactive simulation of a fed-batch culture:
Start MATLAB. If you have not set MATLABs search path to the SimuPlot5 folder and its
subfolders before, do that now (see text above).
1.Start SimuPlot with the command simuplot in the Command window. The window shown
on the cover page should open.
2 Press the button Open a SIMSPEC file. A browser opens.
3. Open the file fedbatch-demo.fig in the folder _SIMSPECfiles. A new window like the one
in Fig 1 should open.
4. Press the button Compile & Run. A new plot window should open (see Fig 4) and plots
will gradually develop.
5. When the initial substrate (S) after about 6 hours process time is exhausted (see Fig 4)
press the mouse arrow in the graph. The simulation is then interrupted and a small window
shown in Fig 2 is opened for changing constants.
6. Start a substrate feed, e.g. 0.1 L/h to initiate the substrate feeding. Press the OK button to
continue the simulation. (The Cancel button will stop the simulation irreversibly)
For information about the data plotting toolbox, see Chapter 4.2.
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SimuPlot5 manual 3 (25)
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Fig 1. The SIMSPEC-window of fedbatch-demo. Upper section: Variables; Middle section: 3 tables
with constants; Bottom section: Algorithm with equations. The upper two sections can be scrolled to
see more rows, and the Algorithm section can be expanded with the FieldSize+ button. See text below
for further description. This is an example of specification with an algorithm using MATLABs ode23s
(indicated in the menu bar) to solve the differential equations. Examples of a Vector algorithm and a
Loop algorithm are shown in Chapters 3.4.2 and Fig 3.4.3, respectively.
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The visible part of the Constants table contains 3x7 constants but the table may harbour 3x19
constants that can be made visible by scrolling. Red text on the 7th row indicates that there
are more constants below.
Fig 3. Plot options. If the Previous graph option is used a new window
will open to let you specify a different line style for the new simulation. If
the Renewed graph option is used the previous graph is erased and a new
graph is produced in the same window. If you have several previous
windows with SimuPlot graphs it is the currently activated window that
will receive the new plots. If you plot in a previous graph, you can specify
the new plot line appearances (solid, dashed, dotted, and thick)
Do not open and edit the simfile. It will have no influence of a simulation since a new file is
produced when you press the simulation button. However, it may sometimes be useful to
study the simfile if the simulation stops with an error message due syntax error in the
algorithm. Close it again before you continue.
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Open: Opens a browser for selection of a new SIMSPEC file. It also closes the current
SIMSPEC file. If you open a SIMSPEC file in other ways so that more than one SIMSPEC
file is open you cannot run a simulation. An error message will prompt you keep only one
SIMSPEC window open.
Save: This menu opens a browser for saving the current specification as a .fig file. Always
use this menu option, not other MATLABs function, to save a SIMSPEC file. Pressing the
Compile & Run button runs the simulation with the current specifications, irrespectively of
whether they are saved or not. Therefore, do not save changes in a SIMSPEC file until you
need to save these changes for later use.
Edit spec:
The Edit spec. menu has three submenus for printing, changing fontsize and correct the
format of rows in the Algorithm or Comments that may become disorganized. Use the HELP
edit spec menu to get a window with further information.
Copy, Paste and Clear of single spec-rows in the tables with Variables or Constants can be
made with a uicontextmenu that appears if the mouse right-click on a Variable/Constant
name. Alternatively, an alt-key+mouse-right-click may do the same. The commands refer to
the whole specification row.
The Variables table can hold max 17 variables including the x-axis variable that must be
specified on the first variable row. The constants are specified in three parallel tables, each
with 14 rows. To scroll through all Variables/Constants use the slider on right hand side. The
Algorithm field is automatically extended and furnished with a scroller when more than 20
rows of text are inserted. Pressing the "field size" button ( + ) extends the Algorithm field to
cover the whole window.
Comments: This menu is used to Show/Hide the Comments page. Text for explaining the
simulation can be added here. It has no impact on the simulation. It is recommended that no
remarks (text preceded by % sign) are included in the Algorithm field. You may rather copy
the algorithm text and paste it into the Comments field and add the comments there. An
example of comments to the fedbatch_demo simulation is shown below.
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Algorithm type: This menu shows the current type of algorithm used (See section 3.4). The
menu text is only a piece of information in the case of Loop and Vector algorithms, but if an
ODE algorithm is used the menu can be set to specify the use of MATLABs ode23s, ode15s
or ode45 for solving the mass balance equations (ordinary differential equations). For
fermentation processes ode23s is usually the best and fasted ODE-solver. Also a max time-
step in the ODE-solving can be set. Use the HELP function in the menu for more information.
The Interactive checkbox: Un-checking this checkbox removes the interactive simulation
mode, which makes the simulation much faster. This option is only available in ODE and
Loop algorithms.
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The HELP menu of the SIMSPEC file opens a window with a summary of the content of
this section (3.1).
During a dynamic simulation the plots can be identified by a temporary label that appears
after a mouse right-click on the plot. When a simulation has been finished a message
Simulation completed is printed in the Command window. You can then proceed with
different options:
change specifications and run a new simulation. This can be done in a new window, or by
replacing the previous simulation, or by superimposing the new simulation on the
previous one (see Fig 3).
edit the plots and graph (see chapter 5.2-3 ).
save the figure (from the File menu) in different formats (e.g. jpeg or fig). If you choose
the MATLAB specific .fig format you can later open the window again and utilise all
SimuPlot functions for plot and graph editing. (Currently a bug distorts the axes when
you re-open this file. You can fix this with the command fixfigscales).
copy the graph from the File menu of the plot window and paste into Powerpoint or
Word files.
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SimuPlot5 manual 9 (25)
To make a new simulation program, open one of the demo-files in the SIMSPECfiles folder,
representing the type of algorithm you want to use. See explanation of the different algorithm
types in next section. Then save the file with a new name using the Save menu, change the
variables, constants, and algorithm/equations to fit your new simulation, save it again, and test
by pressing the button Compile & Run. When you press Compile & Run SimuPlot
produces a temporary file (simfile.m) with the data specified in the current SIMSPEC window
even if it is not saved. Remember to save the file (use the Save menu) when you are
satisfied with the new SIMSPEC file.
SIMSPEC structure for simulations with the ode23s/15s/45 algorithm (See Fig 1):
Variables: The x-variable (time) must be specified on the first row and all variables which are
solved by differential equations must be specified on the next rows below, and have initial
values, and the ODE button must be checked. If you want to plot other variables or control
parameters they should be listed after to ODE-variables and the ODE button must be
unchecked. Unchecking the Plot button means that the plot is invisible in the graph, but can
be made visible after the simulation from the EditGraph/Edit plots menu.
Constants: The left hand table of constants have check buttons. Constants with checked
buttons will appear in a list of changeable constants when you press the mouse arrow in the
graph during a simulation (Fig 2).
Algorithm& Equations field: Do not use a / sign on the left-hand side of a diff.-equation. Use
e.g. the syntax dSdt=...instead of dS/dt= ..(See Fig 1). All parameters in the right-hand side of
the diff.-equations must either be inserted as numeric values, declared as constants in the
Constants section, or calculated in the algorithm before the diff.-equations. Finally, pack all
diff.-equation values in a column vector (use semicolon separators!) called dydt. See last line
in the equations field of Fig 1. The dydt vector must contain the ODE-variables in the same
order as they are listed in the variables section!
All variables are scalars in the ode23s algorithm so you do not need to use the element-wise
multiplication (. *) and division (. /) syntax as in the vector algorithm below.
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Fig 5. A SIMSPEC
file with the
algorithm type
Vector contains a
field (x-steps) for
specification of the
number of data
points along the x-
axis vector (default
value is 1000). The
result of this
simulation is shown
in Fig. 6.
The Comments field of the SIMSPEC file chemostat_demo gives further explanation of the
model equations. It is recommended that MATLAB remarks (text after %) are located here
rather than in the algorithm field.
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SimuPlot5 manual 11 (25)
_________________________________________________________________________
chemostat_demo
Simulates steady-state concentrations, productivities, and growth rate as functions of dilution rate in a
chemostat. It is an example of simulation using SimuPlots algorithmtype " Vector" , in which an x-axis
vector is first built according to the scale specification on the first row in the Variables section (here D
from 0.02 to 1.4divided in 1000 steps).
Note that element-wise operations (.* ./ .^) must be used for vectors.
For models and derivation of the steady state solutions see Fermentation Process Eng., that can be
downloaded from www.enfors.eu.
The default settings assumes no cell death (Kd=0) and no biomass re-cycling (delta=1).
Product formation is set as partly growth rate independent with the Luedeking-Piret model.
If also the products and productivities are plotted, some plots may become identical. Then change the
scale of one of the plots.
Individual axes are plotted only for the top 8 variables. You can move them with the mouse and add
further plots from the EditGraph/Add axes menu.
Variables:
D /h Dilution rate
my /h Specific growth rate
S g/L Limiting substrate conc.
Xv g/L Viable cell conc.
DOT %air sat. Dissolved oxygen
S2 g/L Non-limiting substrate conc.
Xd g/L Dead cell concentration
Pe g/L Extracellular product conc.
Pi g/g Intracellular product conc.
Constants:
Yem g/g Biomass yield coefficient on S, excl. maintenance
qm g/g/h Maintenance coefficient
Ks g/L Saturation constant for S
mymax /h Max specific growth rate
kd /h 1st order death rate constant
Yosresp g/g Oxygen consumed per substrate in respiration
DOTstar % DOT in equilibrium with air bubbles
Si g/L Inlet S concentration
delta - Cell recirculation factor
KLa /h Volumetric oxygen transfer coefficient
Yxs2 g/g Biomass yield on S2
S2i g/L Inlet concentration of S2
H %/(g/L) Conversion factor: % air sat. units per gO2/L
alpha g/g Luedeking-Piret constant for growth associated production
beta g/g/h Luedeking-Piret constant for non-growth associated production
Cx gC/gX Carbon concentration in cells
Cs gC/gS Carbon concentration in substrate S
Algorithm:
'my=delta*D+kd;'
'S=my*Ks./(mymax-my);' Limiting S according to Monod model
'S(find(S<=0))=Si;' Boundary condition for model
'S(find(S>Si))=Si;' Boundary condition for model
'Yxs=my*Yem./(my+qm*Yem);' Biomass yield on S incl. maintenance
'Xv=D./my.*Yxs.*(Si-S);'
'Xd=kd*Xv./(delta*D);'
'qs=my./Yxs;' Specific substrate consumption rate
'qo=Yosresp*(qs-Cx/Cs*my);' Spec. oxygen consumption rate
'DOT=DOTstar-qo.*Xv*H/KLa;'
'qp=alpha*my+beta;' Spec. product formation rate
'Pe=qp.*Xv./D;'
December 2016
SimuPlot5 manual 12 (25)
'Pi=qp./my;'
'Pi(find(S==Si))=0;' Boundary condition for model
'qs2=my./Yxs2;' Spec. rate of S2 consumption
'S2=S2i-qs2.*Xv./D;'
'my(find(my>=mymax))=0;' Boundary condition of model
_____________________________________________________ __
This results in the following matrix (stored in the global matrix xysim) with each variable in a
column (only the first rows of the D, X and S variables are displayed here):
D X S
0.0204 33.535 0.035581
0.0216 34.158 0.037063
0.0228 34.736 0.038552
0.024 35.273 0.040047
0.0252 35.773 0.041549
0.0264 36.24 0.043057
0.0276 36.678 0.044571
etc.
Since this model type involves operations with (column) vectors, and each row represents the
values at the x-value of that row, element-wise operations must be applied for divisions and
multiplications when the vector type of algorithms are used. This is made by inserting a .
(period sign) before the operators of multiplication and division, i.e..* ./ and .^. This is
relevant only for multiplications and divisions of two vectors (or when a vector is a
denominator )- not when one vector is multiplied with or divided by a scalar (constant). Study
the equation fields in the demo-files chemostat_demo and monod_inhib if you are not familiar
with this type of vector operations.
Fig 6 shows the result of simulation of steady state values of a chemostat with the
specifications shown in Fig 5. Note that only variables that have been checked for plotting are
shown in the simulation.
DOT
2 15 1 15 100
S
DOT S2
in a chemostat with the specifications in
S2 ( g/L )
Xv ( g/L )
my ( /h )
S ( g/L )
December 2016
SimuPlot5 manual 13 (25)
samples during a process. This is not possible with ode23s. However, ode23s is generally
better and much faster for solving he stiff differential equations in a fedbatch simulation. Be
careful in the specification of the time step length (number of x-steps). If you run a simulation
of a fed-batch process (like the one in fedbatch_demo) the value must be at least 20 000
otherwise oscillating solutions appear for variables included in stiff differential equations (e.g.
the DOT). This makes the simulation much slower than if the ode23s algorithm is used. A
simple demofile, Sconsumption_demo is included in the SimuPlot package and shows the S
gradient when feed is stopped in a fed-batch process with limiting S concentration (Fig 7-8).
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Fig 9.File import instructions that appear when a tab (.txt) or comma (.csv) delimited text data file is
opened. The first columns of the 6 first data rows in the file are displayed to simplify the settings of
number of title rows and read from column nr and "from row nr". If the file contains decimal
comma signs (,) they are translated to decimal dots(.).
(This file import uses MATLABS readtable function, that is very fast for large data files. If a
MATLAB version previous to 2014a (version 8.3) is used, the file reading is performed by another,
much slower, function.)
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SimuPlot5 manual 15 (25)
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Fig 10. Plot specifications: Left figure shows the window for selection of
variables in the data matrix. To select non-adjacent columns use the Ctrl
(cmd) button when selecting. Right: The selected columns are listed in a panel
for specification of the plot properties. The min and max values of the vectors
are shown as defaults in the Scalemin and Scalemax fields to simplify choice
of suitable scale. If the optional data for axis position ( Ax.pos field) is filled
an axis is drawn for that plot. Position 0, 10, 20 etc. places the axis to the
left of the graph and 100, 110, 120. etc. places the axis to the right of the
graph (see Fig 6). The plot windows obtain an EditGraph menu similar to that
obtained with a simulation. The function of this menu is described in Chapter
5.2.
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SimuPlot5 manual 18 (25)
Multigraph panel. This function opens a new window with an empty panel for pasting max 3
rows and max 2 columns of graphs. See section 5.4. The graphs are copied from the
EditGraph menu.
Vertical line converts the cursor to a cross for location a vertical dotted line in the graph. The
line can be dragged horizontally with the mouse, and edited or deleted after a right-click. The
x-axis coordinate is displayed when the mouse is pressed on the line. The length of the line
can be extended outside the graph, which can be useful in multi-graph panels.
Horizontal line converts the cursor to a cross for location of a horizontal dotted line in the
graph. The line can be dragged vertically with the mouse, , and edited or deleted after a right-
click. The relative y-axis coordinate (% of scale - not the absolute value!) is displayed when
the mouse is pressed on the line. The length of the line can be extended outside the graph,
which can be useful in multi-graph panels.
Add arrows. This menu function opens a textbox for adding optional text at the arrow basis.
A cursor cross then appears to locate the arrow. Its direction and position can be moved with
the mouse. The text can be modified and the object can be deleted from its UIcontext menu
(mouse right-click)
Zoom. The cursor is changed to an amplification glass symbol when moved over the graph
and when pressing down the graph is zoomed in that point. There are three zoom options:
zoom xy, zoom x, and zoom y, which zooms both x and y axis, only the x-axis, or only the y-
axis, respectively. un-zoom returns to the graph to its original and keep zoom conserves the
zoomed state.
Print graph. This menu function prints the current window. It is the same as the Print option
in the MATLABs File menu, but works better for some combinations of printer and software
versions.
HELP prints the explanations of all functions of the EditGraph menu in the Command
window.
Graphs in multi-
Plots: graph panels: Text:
December 2016
SimuPlot5 manual 19 (25)
Some of the UIcontext menu functions can also be reached from the EditGraph menu.
The Display data menu shows the xy-coordinate at the point of the plot where the mouse was
pressed. A plot that has been hidden can be made visible again from the graphs UIcontext
menu and a copied plot or text can be pasted with the Edit graph menu. In multi graph panels
the y-axis tick labels can interfere and the TickLabelMode permits to modify the number of
tick labels.
Further graph editing functions are also available from the menu EditGraph. Use the HELP
function in this menu to display information on the functions of these menu options.
Show plot data opens opens a window in which the x- and y- data of the selected plot is
displayed.
Datafilter. Two filter types are available: Moving mean or Forward/back filtration.
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Moving mean filter: The total number of data points in the selected plot is shown and an input
field is opened for entering the window size (number of data points for the moving average).
Forward-back filter: A window is opened to specify the filter parameter. -0.85 is default
value. 0 gives no filtering and lower value, e.g. -0.95 , a stronger filter.
The filtered y-vector (from both filters) is finally interpolated to the first column in the xy-
matrix and the filtered data are plotted (red) together with the un-filtered data (black) in a new
window from where options are given to plot in a SimuPlot window and/or add the filtered
data to the xy-matrix. If the option Add to xy matrix is selected a window opens for location
of the place in the xy-matrix. The vector name can also be changed here.
Datafit. This segmented curve fit function makes it possible to combine exponential and
polynomial or two polynomial fittings of different sections in one plot The figure here
illustrates an exponential fit to the batch phase (0-5 hrs) followed by a 1st order polynomial
fit of the fed-batch phase. If no exponent is given, SimuPlot calculates the exponent that gives
lowest sum of square of difference between fitted and original data. The parameters are set
and then tested with the Show button. If the fit is not accepted by you, new parameters can
be tested until the button Accept is
pressed. Then another segment is
analysed and finally accepted. The
Finish button merges the
segments. The fitted curve can be
interpolated to the first column of
the xy-matrix or to only the
measured x-variable values. Finally,
the data can be inserted in the xy-
matrix (See Datafilter above).
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The menu of the multi-graph panel contains the function for pasting
SimuPlot graphs into a specified row/column in the panel, adding free
text, pasting copied text, editing fontsize. Information about how to
add arrows and other annotation objects is also obtained from this
menu.
Next page shows a multi-graph panel with packed rows so that only
the lowest graph shows the x-axis tick labels. To prevent interference
December 2016
SimuPlot5 manual 22 (25)
between min and max ticks on the y-axes, the min value (mostly 0) of some scales have been
removed with the UIcontext menu (see section 5.3).
10 500 1000
Qi
Fs
( L/min )
)
RPM
(-
Fs
RPM
Qi
0 100
0 300
klaC(mMol/L/h) ( - )
( %air sat. )
klaC(mMol/L/h)
DO
DO
22 10
0 1
RQ
( %v/v )
( %v/v )
O2o
RQ
CO2o
O2o
CO2o
12 0 0
0 1 2 3 4 5
time 6 7 8 9 10
6. Animations in PowerPoint
Individual plots in a multi-plot graph or different time segments of a dynamic simulation can
be transferred to PowerPoint and shown step-wisely with the PowerPoint Animation function.
The following procedure shows how to make a PowerPoint animation of a fed-batch culture
in several steps, e.g. the batch phase and the fed-batch phase.
1. Start a dynamic simulation with for instance the SIMSPEC file fedbatch_demo.
2 At the end of the batch phase: Interrupt the simulation with the windows UIcontext menu
(mouse right-click outside the graph).
3. Label the plots with a double-click and make a copy with the menu function Edit/ Copy
figure.
4. Paste the copy into Power point. If this is not the first copy, select the copy object by
pointing at it with the mouse and choose Appear in the Animation menu of PowerPoint.
5. Continue the simulation (use the windows UIcontext menu).
6. Press (quickly) in the graph to interrupt again and change process control parameters (set F)
and continue the simulation.
7. Run until you have obtained the next phase for the .ppt animation, then interrupt, copy and
paste into PowerPoint.
All copies will start at time zero, but the copies usually cover each-other well. If you want to
avoid the multiple graph frames (usually not visible), you can use the menu EditGraph/Plot
axis/Hide before transferring the copy to PowerPoint.
December 2016
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7. SimuPlot Commands
SimuPlot contains a number of
commands that are stored as m-files in
the SimuPlotCommands folder. Some
of these commands are addressed from
the SimuPlot graph menus but they may
also be useful if you work with
calculations and plotting directly from
the Command window. Pressing the
button SimuPlotCommands on the
start page of SimuPlot (see cover page)
produces a list of these commands.
Pressing one of the buttons in this list
prints an explanation of the function of
the command.
A number of standardized
calculation files for common
bioprocess variables are
located in the folder CalcFiles.
Pressing the button "SimuPlot
Calc-files" on the SimuPlot
start window produces a list of
these files. Pressing the related
button displays the "help" text
of that file. These calculations
require that the process log-
and off-line data have been
inserted in the global xy-
matrix.
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9. Error messages
Always work so that you see at least some of the Command window when you use SimuPlot.
MATLAB error messages are printed out there and also some messages from SimuPlot.
Here are some examples of error messages and possible explanations:
It is usually the first of this error messages that points at the faulty code line. (In this case a
spelling error (f instead of F) in simfile at line 30). This file is produced from the compilation
of the SIMSPEC file, so the error is there. The other messages show the execution path when
the error was encountered. If you press the underlined part of the message the editor will open
this file and locate the cursor at the mentioned line.
If the error is in the temporary simfile it is most likely an incorrect spelling or decimal sign
(eg a decimal , instead of decimal .) in the SIMSPEC file. If you open the simfile to check an
error message remember to close it before you continue. simfile.m is a temporary file which is
regenerated each time you press the Compile & Run button on the SIMSPEC window.
4. If you run a simulation using ode23s you may get the following type o error message:
This is due to problems for ode23s to solve the equations. Try to reduce the maxodestep
parameter in the Simulation menu of the plot window.
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December 2016