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        The TUnfold package: user manual Stefan Schmitt, DESY
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1.     For the condition kRegModeCurvature  the matrix L approximates second derivatives     k       j       xj     xi   Similar to the case of kRegModeDerivative the corresponding  matrix structure may get rather complicated in case of multi dimensional distributions   and is most conveniently handled through the use of the classes TUnfoldDensity and  TUnfoldBinning     3 2 Non standard regularisation schemes    Sometimes it is useful to set up non standard regularisation schemes  When using the  class TUnfoldDensity with user defined binning schemes  there is additional control over  the regularisation scheme  One may select modifications of the calculation of L such that  the components of z are normalized to the corresponding bin widths prior to calculating  the regularisation conditions  Furthermore  it is possible to take into account the bin  widths for the calculation of the first or second derivatives  One may also set specific  normalisation factors or normalisation functions with the binning scheme and use those  to modify the normalisation of z in the calculation of the regularisation     For binning schemes based on trees with several branches it is possible to restrict  the regularisation to one of the branches or to set up dedicated regularisation schemes  for each of the branches  method RegularizeDistribution     For multi dimensional  distributions it is possible to exclude underflow or overflow bins or to exclude derivatives  calculated along specific axes fro
2.  In order to achieve this  in the distributed TUnfold 17 1 package  the classes                ROOT TUnfold   Supported TUnfold classes   5 21 and earlier       Z   5 22 V6 TUnfold   5 23 5 25 V13 TUnfold TUnfoldSys   5 27 V15 TUnfold TUnfoldSys   5 28 5 36 V16 0 TUnfold TUnfoldSys    not distributed    V17 1 TUnfold TUnfoldSys TUnfoldDensity TUnfoldBinning    Table 1  correspondence of distributed ROOT versions and TUnfold versions     have been renamed  the class TUnfold is named TUnfoldV17  the class TUnfoldSys is  named TUnfoldSysV17  etc  In the header files  statements like     define TUnfold TUnfoldV17    have been added  such that the renamed classes are accessible under their usual name     1 2 TUnfold distribution    The TUnfold package is available for download here  3   The package comes as a gzipped  tar archive  The archive should contain the files given in table 2        README   COPYING  tunfold_manual tex  tunfold manual _figl eps  tunfold_manual_fig2 eps  Makefile  altercodeversion sh  TUnfold h   TUnfoldSys h  TUnfoldDensity h  TUnfoldBinning h  TUnfoldV17 cxx  TUnfoldSysV17 cxx  TUnfoldDensityV17 cxx  TUnfoldBinningV17 cxx  testUnfoldxXx C   docu C    notes on compiling   licence file   LaTex source of this manual   Figure 1 of this manual   Figure 2 of this manual   default makefile for linux systems   auxillary script   header file providing the class TUnfoldV17   header file providing the class TUnfoldSysV17  header file providing the class TUnfoldDensi
3.  is determined in a similar manner  for  example by deciding on the reconstructed channel and then using the appropriate recon   structed quantities to calculate the bin number from the tree of reconstructed bins  If the  event was not reconstructed  the special bin number trec   0 is used     Finally  the event weight wegen is filled in the corresponding bin of the two dimensional  histogram of migrations  Sometimes there is a secondary event weight Wree to account  for detector efficiency corrections  In order to account for this  the event must be filled  twice into the histogram of migrations  First  the histogram of migration is filled at the  position  igen  trec  using the weight Wgen X Wrec  Next  the histogram of migration is filled  again  this time at the position  igen  0  using the event weight ween X  1     Wrec      For data  the procedure to determine the bin number is applied for the reconstructed  quantities only  and a one dimensional histogram is filled     Setting up binning schemes with TUnfoldBinning is illustrated in the example macro  testUnfold5b C  How to use the binning scheme to fill histograms is illustrated in  testUnfold5c C  Unfolding and extracting distributions using the binning scheme is il   lustrated in testUnfold5d C     3 Regularisation    For unfolding  regularisation conditions are imposed  The regularisation is given by the  scalar product  7Lz 7Lz   where z is the difference of the unfolding result to a bias  vector and L is a matri
4. AvgSys   Z              pisys      average of squares of  global correlation coefficients including sys   tematic errors        Table 4  Choices of the function Z for implemented with the method ScanTau       parameters have to be set  the number of points n   the minimum and maximum value  of T to scan and the mode  table 4   If the minimum and maximum value of T agree   the scan range is determined automatically  In addition one may change the way the    8    correlation coefficients p  are calculated  The calculation may be restricted to one branch  in the binning tree or may use all branches  Within the distributions it is possible to  exclude underflow and overflow bins or to integrate over bins  The scan returns four  curves  the curve Z 7  and in addition the three curves also returned by ScanLcurve     For a given interval in T  n     1 points are inserted such that large 7 intervals are split into  two  Finally  using the set of n      1 points  the position of the minimum is determined  and the unfolding is repeated at the position of the minimum     The scan of correlation coefficients has the desired property that correlations in the  result are minimized  Ideally  the correlation coefficients are small and can be neglected   However  this has to be checked carefully     A drawback of the method is that it often fails  In particular  this method can not  be used with the kRegModeSize regularisation condition  For the regularisation methods  kRegModeDerivative and 
5. Here  it is not possible to use the underflow and overflow bins for  measurements  Instead  these bins are used to count events which originate from a specific  truth bin but where the reconstructed quantity is not available  An example is given in  figure 2     2 4 Complex binning schemes    The class TUnfoldBinning provides means to map bins originating from multi dimensional  distributions on a single histogram axis and back  The multi dimensional distributions  are arranged in a tree structure     For the truth parameters  the branches of the tree structure could correspond to  different decay channels  signal and background  etc  Similarly  for the reconstructed  parameters  the branches of the tree structure could correspond to different reconstructed  channels and various control distributions  So in general  there are two    binning trees      a tree of truth bins and a tree of reconstructed bins     When filling the histogram of migrations  the proper bin numbers both in the tree of  truth bins and in the tree of reconstructed bins have to be determined  The bin number  igen ON truth level is determined as follows  first  the appropriate branch is determined  for  example by deciding on the event type  signal or background   The method FindNode    may be used to locate a branch in the tree using its name  Next  using the truth param   eters  the bin number igen is calculated using the method GetGlobalBinNumber    The  bin number trec in the tree of reconstructed bins
6. November 15  2012    The TUnfold package  user manual    Stefan Schmitt  DESY  NotkestraBe 85  22607 Hamburg    Email  Stefan Schmitt desy de    Abstract    TUnfold is a package with provides functionality for correcting migration and back   ground effects for multi dimensional distributions  This document gives a user   oriented technical description of the package  valid for the version number 17 1     1 Package overview    The TUnfold package provides algorithms to correct measured distributions for migration  effects  The algorithm is based on least square fitting and Tikhonov regularisation  it is  described in  1   In this document  details of the technical implementation and of the user  interface are described  It is assumed that the reader is familiar with the algorithm  1      The package is written in the C   programming language  It consists of the four  classes TUnfold  TUnfoldSys  TUnfoldDensity and TUnfoldBinning  The package is  tied to the ROOT analysis framework  2      1 1 Root versions and TUnfold versions    As of root version 5 22  some version of the TUnfold package is distributed together  with the root software  Table 1 summarizes the connection between TUnfold version and  distributed root versions  The most recent Root version 5 36 does not include the full  functionality of TUnfold  However  it is possible to download the latest TUnfold version  17 1 and use it together with any ROOT relase  even if it comes along with an older version  of TUnfold 
7. background source                   GetEmatrixInput error matrix from input errors  Retreive unfolding error matrix  only when using class TUnfold    Method Description   GetEmatrix  deprecated  get error matrix   GetRhol  deprecated  get global corelations       Table 3  basic methods required to use the unfolding package  The table lists the name  of the method and a short description     ion    binmap 0   binmap 1 1                                                                                            g overflow not used Output histogram  5 oe overflow  E bing     gt    2     x bing a ee bin 5   w     E i es Te   E bine     gt  na   E bind     gt  ieee bin 3   c   5 nr bin 2     bing     gt      3 i bin 1         bine  gt  B      a underflow  c    gt  underflow not used                Figure 1  For the classes TUnfold and TunfoldSys  the bin map defines which bins of the  unfolding result are stored in which histogram bin  In the example  10 bins are mapped  to 5 bins     2 Histograms and binning schemes    ROOT histograns are used to exchange information between the TUnfold package and  the user  Internally  the algorithm works with vectors to store the bins of the input and  output distributions     2 1 Use of bin maps with class TUnfold and TUnfoldSys    When importing data into the classes TUnfold or TunfoldSys  only the bin contents and  bin errors of the histograms are relevant  The bin edges are not used  When extracting  data into an existing histogram  the bin
8. kRegModeCurvature  the method is expected to work more  reliably     References     1  S  Schmitt  JINST 7  2012  T10003  arXiv 1205 6201  physics data an      2  R  Brun and F  Rademakers  Nucl  Instrum  Meth  A 389  1997  81      3  S  Schmitt  TUnfold version 17 1  http    www desy de  sschmitt tunfold html     
9. m the regularisation  Ultimatelty  it is also possible to  define arbitrary regularisation conditions by adding single rows to the matrix L  method  AddRegularisationCondition        4 Determination of T    One of the frequent questions related to the regularized unfolding method implemented  in the TUnfold package is the choice of the regularisation parameter 7  If 7 is too small   there is no regularisation  If 7 is too large  the unfolding result is biased strongly by  the regularisation condition  In the TUnfold package  two basic methods to determine  the regularisation have been implemented  the L curve scan and the minimisation of  correlations     4 1 L curve scan    The L Curve scan is available with the classes TUnfold  TUnfoldSys and TUnfoldDensity   The method is named ScanLcurve  It works as follows  the unfolding is repeated for a  number of points with different 7  for example n    30  A parametric curve of two  variables X 7  and Y  r  is calculated  The exact definition of these variables is given in   1   The optimal chioce of 7 is determined as the position having the largest curvature      kink     in the  X Y  plane  For scanning the L curve  the following parameters may be  set  number of points np  minimum  Tmin  and maximum  Tmax  value of 7 to scan  If  Tmin   Tmax  the interval is chosen automatically  When runnung the scan  the following  three curves are produced  X 7   Y T  and Y X      The scan proceeds as follows  Given a 7 interval to scan  fir
10. ning of that histogram is not checked  It is up to  the user to book a histogram with the proper binning  It is then possible to change the  mapping of the vector components to histogram bins  The mapping function is stored  as an array of integer numbers and is denoted    bin map     Each element of the bin map  corresponds to one of the bins in the unfolding result  The value stored in the bin map  indicates the destination histogram bin in which the result shall be stored  It is possible  to add up several bins of the unfolding result simply by using the same destination bin  number for different elements of the bin map  The concept of the bin map is illustrated  in figure 1     2 2 Binning schemes and TUnfoldDensity    For the class TUnfoldDensity the bins are structured in a    binning scheme    using the  class TUnfoldBinning  For one dimensional unfolding problems  the binning schemes are    4    underflow   overflow    region of 2D histogram  overflow                visible part  0 5 lt X gex0 7 of 2D histogram  0 4 lt x gers 0 5  0 3 lt x ger 0 4  0 2 lt x gers 0 3  0 1 lt x gent 0 2                                     underflow    0 5 lt x rec lt 0 6  0 6 lt x rec lt 0 7  0 7 lt x rec lt 0 8    not reconstructed  O5 lt X jec lt 0 1  not reconstructed    Figure 2  The matrix of migrations in the case of one dimensional unfolding is illustrated   The truth parameter Zgen has five non equidistant bins  ranging from 0 1 to 0 7 plus  underflow and overflow bins  seven bi
11. ns in total   The reconstructed parameter Zyec has  twelve bins ranging from 0 05 to 0 8  The underflow and overflow bins in   e are used to  count the non reconstructed events     constructed directly from the matrix of migrations  The user does not have to deal with  the class TUnfoldBinning  For more complex problems  involving multi dimensional dis   tributions  multiple channels or unfolding of background normalisation factors  the corre   sponding binning schemes have to be defined by the user  The binning scheme information  is used when setting up the regularisation scheme  In addition  it is used to create his   tograms having proper bin widths when extracting data from the class TUnfoldDensity   Furthermore  the binning scheme provides functionality to find the proper bin numbers  when filling the histogram of migrations or the histogram of measurements     2 3 Unfolding one dimensional distributions in TUnfoldDensity    When unfolding one dimensional distributions  it is most convenient to book and fill the  histogram of migrations using the bins as required for the analysis  There is no need  to define binning schemes  The matrix of migrations is stored as a two dimensional  histogram  where on one axis the truth bins are arranged  It is possible to have underflow  and overflow bins for the truth parameters  If these are present  their content is also  unfolded from the data  On the other axis there is the reconstructed quantity  again with  the appropoiate bins  
12. st the unfolding is per   formed for T   Tmin and T   Tmax  Intermediate points are then inserted such that a  most uniform population along the curve X T   Y  r  is achieved  Given two or more  points  X   Y    ordered in the corresponding 7   a new point is inserted into the interval  which has the largest size S     Xi     Xi     Yiri     Yi   until np     1 points have been  calculated  The last point of the scan is inserted at the best choice of tau  determined  from the set of n      1 points     4 2 Minimisation of correlation coefficients or other quantities    With the class TUnfoldDensity another method of determining 7 is implemented  The  method ScanTau   repeats the unfolding np times for different choices of r  During that  scan  the minimum of a function Z 7T  is determined  The possible choices of the function  Z are summarized in table 4  They all depend on the calculation of global correlation  coefficients p   which is described in  1   When using the method ScanTau    the following                                  Mode definition of Z  kEScanTauRhoAvg ZL   ae  gt    pi  average global correlation   kEScanTauRhoMax Z   max  pi  maximum global correlation   kEScanTauRhoAvgSys A      gt    Pisys  average global correlation   including systematic errors   kEScanTauRhoMaxSys Z   Max  Pi sys  maximum global correlation   including systematic errors   kEScanTauRhoSquareAvg Z  a S2   pi    average of squares of global  correlation coefficients   kEScanTauRhoSquare
13. tyV17  header file providing the class TUnfoldBinningV17  implementation of the class TUnfoldV17  implementation of the class TUnfoldSysV17  implementation of the class TUnfoldDensityV17  implementation of the class TUnfoldBinningV17  example macros where XX 1  2  3  4  5a  5b  5c  5d  small program to test the documentation generated by ROOT        Table 2  files distributed with the TUnfold package version 17 1     1 3 Makefile    For many unix systems  the Makefile provided with this distribution is suitable for com   piling the examples and the library  Note however  compilation only has been tested on  selected systems  In general  modifications to the Makefile may be needed in order to  compile the TUnfold package  The main commands from the Makefile are    make lib creates a shared library libtunfold so     make bin creates wrapper code to call the example macros and compiles them as stand   alone executables  For example the file testunfold1 C is created and compiled as  executable testunfoldt     For using the TUnfold package  it is probably best to work through the example given by  the four macros testUnfold5a C  testUnfold5b C  testUnfold5c C and testUnfold5d C     1 4 Class overview    The four classes distributed with TUnfold are described briefly in the following  For  most applications  the proper class to use is TUnfoldDensity and possibly also the class  TUnfoldBinning to set up the analysis bins     class TUnfold provides the core unfolding algorithm  matri
14. x describing the regularisation scheme  The parameter T gives the  strength of the regularisation  The number of columns of L is identical to the number  of unfolded bins  The number of rows reflects the number of regularisation conditions  it  may be different from the number of columns     3 1 Basic regularisation types    Three basic types of regularisation are supported  kRegModeSize  kRegModeDerivative   kRegModeCurvature  The type of regularisation may be specified with the constructor of    6    either of the classes TUnfold  TUnfoldSys  TUnfoldDensity as the third argument  In  that case  the given basic regularisation is applied to all bins     The simplest regularisation condition is given by kRegModeSize  corresponding to the  case where L is the unity matrix  The matrix L is diagonal and does not mix different  bins  The regularisation is given by 7   gt  22    For the condition kRegModeDerivative  the matrix L calculates differences x      2   thus approximating first derivatives  In that case  the structure of the input bins matters   because differences should be calculated between adjacent bins only  For one dimensional  distributions this done by simply setting 7   i   1  For two dimensional distributions   derivatives may be defined along both dimensions and the relation is getting more com   plicated  When using the classes TUnfoldDensity and TUnfoldBinning  the relation of  the bins is known and appropriate regularisation schemes are defined automatically 
15. x operations and methods  to import from histograms or to export to histograms     class TUnfoldSys adds functionality to the class TUnfold to treat background and  systematic uncertainties     class TUnfoldDensity adds functionality to the class TUnfoldSys to properly take into  account bin widths and multi dimensional distributions     class TUnfoldBinning is used to tell the class TUnfoldDensity how the bins in complex  binning schemes are arranged     Table 3 gives a summary of the most important methods available with the TUnfold  package        Run the unfolding          Method Description   constructor define matrix of migrations and basic regu   larisation scheme   SetInput    define measurement   AddSysError    set a systematic uncertianty   SubtractBackground   set a background source   DoUnfold   unfold once  with fixed tau   ScanLcurve    scan L curve  unfold multiple times  and de   termine tau   ScanTau   scan correlations  unfold multiple times  and    determine tau          Retreive unfolding results          Method Description   GetOutput    unfolding result   GetEmatrixTotal    total error matrix   GetRhoItotal    total global corelations   GetDeltaSysSource   systematic shifts from one systematic error   GetDeltaSysBackgroundScale     systematic shifts from one background scale  error   GetEmatrixSysUncorr    error matrix from uncorrelated uncertainty    on migration matrix  GetEmatrixSysBackgroundUncorr   error matrix from uncorrelated uncertainty  on one 
    
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