BatchKi Reference Manual
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BatchKi
Reference Manual
Petr Kuzmič,
Ph.D.
BioKin Ltd.
Contents
Introduction
Purpose of
BatchKi
Computational Methods
Graphical User Interface
Installation
System Requirements
Microsoft Windows
Linux and Unix-like systems
Other operating systems
Installing Prerequisites
Install Perl on Microsoft Windows
Download Active Perl
Install Active Perl
Verify Active Perl installation
Install Apache Web Server on MS Windows
Download Apache HTTP server
Install Apache HTTP server
Verify Apache HTTP server installation
Downloading BatchKi
Installing BatchKi
Configuring the BatchKi installer
Performing the installation
Testing the installation
Installing the license file
Installing the license during the initial
BatchKi
installation
Installing the license after the initial
BatchKi
installation
Program Execution
Command Line Interface
Default initialization file
Specified initialization file
Specified output directory
Specified output directory and initialization file
Common Gateway Interface (CGI)
Control Settings and Templates
[Confidence Intervals]
Parameter
Exact
Parameter
FixedEnzyme
Parameter
Level
[Enzyme concentration]
Parameter
Optimize
Parameter
Multiple
Parameter
Limits
[Output]
Parameter
AllProgressCurves
Parameter
GraphicFormat
Parameter
GraphicProgress
Parameter
GraphsPerRow
Parameter
GridRectangleSize
Parameter
InhibitorNameLength
Parameter
LeverageHigh
Parameter
LeverageLow
Parameter
LogPotency
Parameter
OnlySummarySpreadsheet
Parameter
OnlyVelocities
Parameter
ReportIC50
[Progress]
Parameter
Model
Parameter
MaxDegree
Parameter
MaxDegree
: Polynomial fit
Parameter
MaxDegree
: Exponential fit
Parameter
AutomaticDegree
Parameter
AutomaticDegreeTuning
Parameter
RobustRegression
Parameter
ExcludeFirstPoint
Parameter
Extrapolate
Parameter
MaxSeconds
Parameter
MinSeconds
[Velocities]
Parameter
AdjustVoInitialEstimate
Parameter
Model
Parameter
ExcludeLargeSquares
Parameter
MultipleOfMedianSquare
Parameter
ExcludeNegativeRates
Parameter
AverageReplicates
Parameter
ConstantWeights
Parameter
RelativeWeights
Parameter
RequireNegativeControl
Parameters related to optimized baseline rate
Parameter
AutoBaseline
Fit to the modified Morrison equation
Fit to the four-parameter logistic equation
Parameter
AutoBaselineCutoff
Fit to the modified Morrison equation
Fit to the four-parameter logistic equation
Parameter
NegativeBaselineLimit
Parameter
OptimizePositiveBackground
Parameter
BackgroundTolerance
Parameters related to robust regression analysis
Template Files
Template File Customization
Input Data
Single or Multiple Data Sets
Plate Size and Unique ID
The
id
attribute
The
rows
attribute
The
columns
attribute
Additional Information (Optional)
Plate Layout
The
identical
attribute
The
external
attribute
Reserved inhibitor labels
Concentrations
The
identical
attribute
The
unit
attribute
The
external
attribute
Plate Reader Output
The
<Data...>
element
The
type
attribute
Reaction progress as primary data
Initial velocities as primary data
The
header
attribute
The
external
attribute
The
format
attribute
SoftMax ``Column'' format (
ThermoMaxColumn
)
SoftMax ``Plate'' format (
ThermoMaxPlate
)
Bio-Tek format (
Bio-Tek
)
Bio-Rad format (
Bio-Rad
)
Universal format (
Universal
)
Two-column format (
TwoColumn
)
The
background
attribute
Output Files
Run Summary Files
HTML Output File
ASCII Delimited (Excel) File
platid
- Plate ID
enz
- Enzyme ID
econc
- Enzyme concentration (M)
sub
- Substrate ID
sconc
- Substrate concentration (M)
inh
- Inhibitor ID
kiapp
- Apparent inhibition constant (M)
sterr
- Formal standard error of apparent inhibition constant (M)
cvar
- Coefficient of variation (%)
cnflos
- Linear approximation of the lower limit for the confidence interval
cnfhis
- Linear approximation of the upper limit for the confidence interval
cnflo
- Lower limit of the confidence interval
cnfhi
- Upper limit of the confidence interval
prblo
- Probability level reached at the lower limit
prbhi
- Probability level reached at the upper limit
prlev
- Desired probability level
nfree
- Degrees of freedom
sdfit
- Standard deviation of fit
persd
- Percentage of
sdfit
relative to control velocity
eo
- Fitted enzyme concentration
eoer
- Standard error of enzyme concentration
vo
- Fitted control velocity
voer
- Standard error of control velocity
vb
- Baseline velocity
vber
- Standard error of baseline velocity
r2adj
- Adjusted regression coefficient
Plate Summary Files
`Plate Summary (Text)' page
`Plate Summary (Graph)' page
`Plate Data' page
Relative reaction rates
Signal offset
Relative sum of squares
Randomness in the distribution of residuals
Plate layout
Reaction progress curves
Residuals of fit
XML Output Files
Polynomial degree, maximum degree, and polynomial type
Polynomial Coefficients
Transformation of the Independent Variable
Evaluation of the Best-Fit Polynomial
Inhibitor Output Files
HTML Output Files
XML and Excel Output Files
The Apparent Inhibition Constant and IC50
Initial Velocity Data
Data for the Construction of Log(Dose)-Response Graphs
DTD for BatchKi Input File
Single Plate Reader Data File
Multiple Plate Reader Data Files
Chebyshev Orthogonal Polynomials
Mathematical properties
Sample evaluation code
List of Figures
List of Tables
Bibliography
Index
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Petr Kuzmic | Jul 12 2008