This file describes the changes and bug fixes in SIMNRA from version 5.0 to version 6.0 Version 5.01 Bug fixes 1. Program started outside the screen at screen resolutions of 640x480 and 800x600. Bug fixed. Version 5.02 (public release, December 2004) Note: Changes from 5.01 to 5.02 are not reflected in 5.03 to 5.50. Changes 1. ENFACTORS and SIGFACTORS in R33-files were ignored, because R33 files did not use these factors. Some R33-files in the IBANDL data library use these factors. ENFACTORS and SIGFACTORS are now read by SIMNRA for compatibility with IBANDL. 2. Maximum number of elements in a layer changed from 20 to 40. 3. Maximum number of curves of elements, isotopes changed from 20 to 40. 4. Maximum number of data points in R33-files changed from 500 to 1000. 5. New cross sections for 19F(a,p0)22Ne and 19F(a,p1)22Ne at 135° from Borgardt (1998), files F19ap0t135.r33 and F19ap1t135.r33. 6. New cross section for Si(p,p)Si at 165° from Gurbich (1998), file HSi165_Gurbich.r33. 7. New cross sections for Si(p,p)Si at 160° and 170° from Salomonovic (1993), files HSi160_Salomonovic.r33 and HSi170_Salomonovic.r33. 8. New cross sections for Al(p,p)Al at 140°, 150°, 160°, 165° and 170° from Chiari (2001), files HAl140_Chiari.r33, HAl150_Chiari.r33, HAl160_Chiari.r33, HAl165_Chiari.r33 and HAl170_Chiari.r33. 9. New cross sections for Al(p,p)Al at 140° and 178° from Ramos (2002), files HAl140_Ramos.r33 and HAl178_Ramos.r33. 10.New cross section for D(p,p)D at 165° from Langley (1976), file HD165_Langley.r33. 11.New cross sections for C(p,p)C at 140°, 150°, 160°, 165° and 170° from Mazzoni (1998), files HC140_Mazzoni.r33, HC150_Mazzoni.r33, HC160_Mazzoni.r33, HC165_Mazzoni.r33 and HC170_Mazzoni.r33. 12.New cross sections for C(p,p)C at 165° from Gurbich (1998), file HC165_Gurbich.r33. 13.New cross section for O(p,p)O at 165° from Gurbich (1997), file HO165_Gurbich.r33. 14.New cross section for O(p,p)O at 178° from Ramos (2002), file HO178_Ramos.r33. 15.Cross section data file AC_FE94A.RTR changed: The cross section is now used for 12C only. 16.New cross-section for 10B(alpha,p)13C from Chen (2003) for 90°, file 10BAP0_1.R33. 17.New cross-section for 13C(3He,p0)15N from Illsley (1957) at 150°, file 13CTP0.R33. 18.New cross-sections for 13C(3He,p1+2)15N and 13C(3He,p3)15N from Illsley (1957) at 150°, files 13CTP12.R33 and 13CTP3.R33 (these files can be used only for kinematic calculations). 19.New cross sections for C(p,p)C at 100°, 105°, 110°, 115°, 120°, 125°, 130°, 135°, 145° and 155° from Mazzoni (1998), files HC100_Mazzoni.r33, HC105_Mazzoni.r33, HC120_Mazzoni.r33, HC125_Mazzoni.r33, HC130_Mazzoni.r33, HC135_Mazzoni.r33, HC145_Mazzoni.r33 and HC155_Mazzoni.r33. 20.New cross sections for 14N(p,p)14N at 140° and 178° from Ramos (2002), files HN140_Ramos.r33 and HN178_Ramos.r33. 21.New cross section for 14N(p,p)14N at 170° from Guohua (1991), file HN170_Guohua.r33. Bug fixes 1. Some RTR files with data for 4He (ASILE72A.RTR ... ASILE72D.RTR, AO_LE90A.RTR) were not recognised correctly. Bug fixed. 2. Proton yields from nuclear reactions can be inaccurate, if very thick foils are used and automatic step width control is selected. Bug fixed. 3. Minimum and maximum values of x- and y-axes were stored in .nra-files, but the values were not used. Bug fixed. 4. Element information in the "Creation of a Target" form was lost, if number of elements was changed from 9 to 10. Bug fixed. 5. Spectra of elements and isotopes were not deleted if Plot:Delete Simulated Data was clicked. Bug fixed. 6. If Emin (in the Reactions menu) is lowered below the energy of the lowest energy data point of a cross section, then the program uses linear extrapolation of the cross-section data between the lowest energy data point to (0, 0). This behaviour is not intended. Bug fixed. 7. Q-value in files 9BeTp1_1.r33 and 9BeTp1_2.r33 for 9Be(3He,p1)11B reaction was incorrect (Q = 0.0). Bug fixed. 8. Q-value in file 13CDP.R33 for 13C(d,p)14C reaction was incorrect (Q = 2722 keV was for 12C). Bug fixed. Version 5.03 Changes 1. Options:Preferences:Directories allows to change the directories where atomic, stopping power and cross section data are found. 2. Counts cannot get negative while zooming into the plot. Bug fixes 1. Minimum and maximum values of x- and y-axes were stored in .nra-files, but the values were not used. Bug fixed. Version 5.10 Changes 1. Elements in a layer can be entered as concentration or areal density. 2. Buttons in the reaction menu to select/deselect Rutherford cross sections for all isotopes of an element. 3. The file REPLACE.LST allows to replace cross section data files with different ones. 4. Some cross section data files measured by McIntyre were deleted and replaced: Deleted file Replaced by 10B3Hep0_135.r33 B10He3p0t135.r33 10B3Hep0_90.r33 B10He3p0t90.r33 10B3Hep1_135.r33 B10He3p1t135.r33 10B3Hep1_90.r33 B10He3p1t90.r33 11B3Hep0_135.r33 B11He3p0t135.r33 11B3Hep0_90.r33 B11He3p0t90.r33 14N3Hep0_135.r33 N14He3p0t135.r33 14N3Hep0_90.r33 N14He3p0t90.r33 14N3Hep12_135.r33 N14He3p1-2t135.r33 14N3Hep12_90.r33 N14He3p1-2t90.r33 14N3Hep34_135.r33 N14He3p3-4t135.r33 14N3Hep34_90.r33 N14He3p3-4t90.r33 The deleted files were obtained by digitising the graphs in the original publication. The new files were produced by McIntyre and contain more accurate data. Typical differences between the files are about 2%. 5. New cross sections for 19F(a,p0)22Ne and 19F(a,p1)22Ne at 135° from Borgardt (1998), files F19ap0t135.r33 and F19ap1t135.r33. 6. New cross section for Si(p,p)Si at 165° from Gurbich (1998), file HSi165_Gurbich.r33. 7. New cross sections for Si(p,p)Si at 160° and 170° from Salomonovic (1993), files HSi160_Salomonovic.r33 and HSi170_Salomonovic.r33. 8. New cross sections for Al(p,p)Al at 140°, 150°, 160°, 165° and 170° from Chiari (2001), files HAl140_Chiari.r33, HAl150_Chiari.r33, HAl160_Chiari.r33, HAl165_Chiari.r33 and HAl170_Chiari.r33. 9. New cross sections for Al(p,p)Al at 140° and 178° from Ramos (2002), files HAl140_Ramos.r33 and HAl178_Ramos.r33. 10.New cross section for D(p,p)D at 165° from Langley (1976), file HD165_Langley.r33. Version 5.20 Bug fixes 1. Multiple scattering calculation gave incorrect results if very thin layers were present. Bug fixed. Version 5.25 Changes 1. Calculation of exit angle for substrate roughness changed. See User's Guide for details. 2. Help: Home Page menu item added. 3. Calculation of exit angle beta as function of alpha and theta for IBM and Cornell geometry added. Version 5.30 Changes 1. Calculate Spectrum Fast added. 2. New cross sections for C(p,p)C at 140°, 150°, 160°, 165° and 170° from Mazzoni (1998), files HC140_Mazzoni.r33, HC150_Mazzoni.r33, HC160_Mazzoni.r33, HC165_Mazzoni.r33 and HC170_Mazzoni.r33. 3. New cross sections for C(p,p)C at 165° from Gurbich (1998), file HC165_Gurbich.r33. 4. New cross section for O(p,p)O at 165° from Gurbich (1997), file HO165_Gurbich.r33. 5. New cross section for O(p,p)O at 178° from Ramos (2002), file HO178_Ramos.r33. 6. Cross section data file AC_FE94A.RTR changed: The cross section is now used for 12C only. Bug Fixes: 1. Element information in the "Creation of a Target" form was lost, if number of elements was changed from 9 to 10. Bug fixed. 2. Element concentrations got incorrect in the "Creation of a Target" form, if "Areal density" was used and elements were deleted. Bug fixed. Version 5.31 Changes 1. "Creation of a Target" and "Calculation of Stopping" forms are no longer modal. Version 5.35 Changes 1. Most forms were changed from modal to non-modal: They can stay open all the time. 2. "Target Summary" form sizeable. Bug Fixes: 1. Spectra of elements and isotopes were not deleted if Plot:Delete Simulated Data was clicked. Bug fixed. Version 5.40 Changes 1. Gaussian substrate roughness added. 2. Dimensionality of substrate roughness added. 3. Algorithm for substrate roughness caculations completely re-written. 4. New NRA-file format. 5. Output format of Write Spectrum Data... changed: Blank between columns replaced by Tab. 6. Edit:Delete all layers in Creation of a target form added. 7. New cross sections for 14N(p,p)14N at 140° and 178° from Ramos (2002), files HN140_Ramos.r33 and HN178_Ramos.r33. 8. New cross section for 14N(p,p)14N at 170° from Guohua (1991), file HN170_Guohua.r33. Bug Fixes: 1. Write Spectrum Data... created output without separator between columns if negative counts were present in experimental data. Bug fixed (see Changes 5.) 2. Some RTR files with data for 4He (ASILE72A.RTR ... ASILE72D.RTR) were not recognised correctly. Bug fixed. 3. Q-value in files 9BeTp1_1.r33 and 9BeTp1_2.r33 for 9Be(3He,p1)11B reaction was incorrect (Q = 0.0). Bug fixed. 4. Calculate:Kinematics... for D (and T) showed additional results for masses 1 and 3. Not a real bug, but unexpected behaviour. Fixed. 5. Q-value in file 13CDP.R33 for 13C(d,p)14C reaction was incorrect (Q = 2722 keV was for 12C). Bug fixed. Version 5.50 Changes 1. Help system now works with both Adobe Acrobat and Acrobat Reader via DDE. Version 5.60 Changes: 1. Life time correction and pile-up calculation added. 2. New NRA-file format. 3. File:Read Spectrum Data:ASCII... improved. More stable against blank lines and rubbish at the end of the file. 4. New cross-section for 10B(alpha,p)13C from Chen (2003) for 90°, file 10BAP0_1.R33. 5. New cross-section for 13C(3He,p0)15N from Illsley (1957) at 150°, file 13CTP0.R33. 6. New cross-sections for 13C(3He,p1+2)15N and 13C(3He,p3)15N from Illsley (1957) at 150°, files 13CTP12.R33 and 13CTP3.R33 (these files can be used only for kinematic calculations). 7. ENFACTORS and SIGFACTORS in R33-files were ignored, because R33 files did not use these factors. Some R33-files in the IBANDL data library use these factors. ENFACTORS and SIGFACTORS are read by SIMNRA for compatibility with IBANDL. 8. Maximum number of elements in a layer changed from 20 to 40. 9. Maximum number of curves of elements, isotopes changed from 20 to 40. 10. New cross sections for C(p,p)C at 100°, 105°, 110°, 115°, 120°, 125°, 130°, 135°, 145° and 155° from Mazzoni (1998), files HC100_Mazzoni.r33, HC105_Mazzoni.r33, HC120_Mazzoni.r33, HC125_Mazzoni.r33, HC130_Mazzoni.r33, HC135_Mazzoni.r33, HC145_Mazzoni.r33 and HC155_Mazzoni.r33. 11.New cross sections for 10B(p,p)10B at 100° - 170° in steps of 5° from Chiari (2001), files H10B100_Chiari.r33 to H10B170_Chiari.r33. 12.New cross sections for 11B(p,p)11B at 100° - 170° in steps of 5° from Chiari (2001), files H11B100_Chiari.r33 to H11B170_Chiari.r33. Bug fixes: 1. Stopping powers were read from file several times if layer roughness was calculated, resulting in extended computing times. Bug fixed. 2. Layer thicknesses were limited to [0, D+3*Sigma] (with D the mean thickness and Sigma the standard deviation of the layer roughness) in layer roughness calculations, resulting in a non-vanishing step at the low energy edge of a rough layer. The upper boundary is now shifted to higher values if "Number of thickness steps" is increased in the "Setup:Calculation" menu, resulting in a smoother low energy edge. Version 5.61 Changes: 1. Bohr's and Chu's straggling theories can be used. 2. Unscreened Rutherford cross-section and Andersen's screening function can be used. 3. New NRA-file format. 4. Maximum number of data points in R33-files changed from 500 to 1000. Bug fixes: 1. Target.LayerRoughness returned a value if the layer roughness was switched off (i.e. if Target.HasLayerRoughness = False). Target.LayerRoughness now returns 0.0, if Target.HasLayerRoughness = False. 2. Proton yields from nuclear reactions can be inaccurate, if very thick foils are used and automatic step width control is selected. Bug fixed. 3. If Emin (in the Reactions menu) is lowered below the energy of the lowest energy data point of a cross section, then the program uses linear extrapolation of the cross-section data between the lowest energy data point to (0, 0). This behaviour is not intended. Bug fixed. Version 5.62 Changes: 1. Pile-up calculation with and without pile-up rejector. 2. Fast or accurate pile-up calculation. 3. New NRA-file format. Version 5.64 Changes: 1. New NRA-file format. 2. L'Ecuyer screening function for backscattering. 3. KKKNS stopping power for H, He in C, Si. Bug fixes: 1. Dual scattering crashes sometimes if used together with geometrical straggling. Bug fixed. Version 5.70 Changes: 1. SRIM 2003 stopping powers can be used. 2. Energy loss evaluation with Runge-Kutta instead of Doolittle's algorithm. 3. New cross sections for 9Be(p,alpha)6Li and 9Be(p,d)8Be reactions from Thomas et al.(1949), files 9BEPA_1.r33 and 9BEPD_3.r33. Bug fixes: 1. Cross section values in the Calculate:Cross Section... form are not updated correctly, if the screening model is changed in the Setup:Calculation... form. Bug fixed. 2. Unscreened Rutherford cross section for ERD could result in erraneous results due to missing initialisation of local variables. Bug fixed. Version 5.71 Changes: 1. Subtraction of pile-up. 2. Setups for calculations can be saved and retrieved from files. Version 5.72 Changes: 1. Improved fitting of layer composition. 2. Time-of-flight detector. 3. Thin solid state detector. Bug fixes: 1. Protection fault in the reaction select form if reactions are not available. Bug fixed. 2. Bug in multiple scattering calculation: Numerical errors could pile up, resulting in incorrect results from larger depths. Bug fixed. Version 5.73 Bug fixes: 1. (p, p gamma) reactions were classified as backscattering and not as reactions. Bug fixed. Version 5.74 Changes: 1. Multiple scattering calculation: The correlation between angular deflection and energy change is taken into account more accurately with a weighted sum of uncorrelated and fully correlated contributions, see G. Amsel et al., NIM B201 (2003) 325, Section 4.3. Version 5.75 Changes: 1. Multiple scattering calculation: Records as data structure for ions, otherwise unchanged. Version 5.76 Changes: 1. Multiple scattering calculation with chord angle and correct handling of correlations. Version 5.77 Changes: 1. Improved speed of multiple scattering calculation. Version 5.78 Bug fixes: 1. Calculation of energy loss and straggling in layer in the Calculate Stopping... form did not work correctly. This bug was introduced in version 5.75. Bug fixed. Version 5.79 Changes: 1. Electrostatic detectors. 2. New NRA file format. Version 5.81 Changes: 1. Cross-section data from file CRSDA.DAT are no longer available. If used in previous calculations, they are replaced by the corresponding data files in R33 or RTR format. See the file REPLACE.LST. Bug fixes: 1. List of possible reactions was not updated correctly, if scattering angle was changed and new reactions (for example recoils) became possible or impossible. Bug fixed. Version 5.82 Changes: 1. Toolbar with speed buttons for opening and saving files, and calculating spectra. Version 5.83 Changes: 1. Nearest elements are displayed. Version 5.84 Changes: 1. Controls (Edit fields, buttons, etc.) in Windows XP style, if XP theme is selected. 2. Flat buttons. 3. New program icons for Windows XP with 32 bit colors. 4. New setup program, created with Inno Setup. Bug fixes: 1. SRIM 2003 stopping powers did not work correcly, if the decimal separator in the windows regional settings was different from '.' (point). Bug fixed. 2. Correct COM server registration required to run the program at least once with administrator privileges, otherwise very strange bugs might appear. Bug fixed. Version 5.85 Bug fixes: 1. Users with restricted privileges cannot use SRIM 2003 stopping powers due to missing write access to the SIMNRA\STOP directory. Bug fixed. 2. Users with restricted privileges cannot use SRIM 2003 stopping powers due to missing write access to the SRIM2003\SR Module directory. This is an SRIM 2003 bug and cannot be fixed. Workaround documented in SIMNRA User's Guide. 3. If SIMNRA is not registered and removed, the message "This is an unregistered copy..." is displayed during the removal. Not a real bug, but annoying. Fixed. 4. Spectra of elements or isotopes are always stored with 8192 channels, resulting in large nra-files. Bug fixed. Version 5.86 Changes: 1. Fitting: Chi2 evaluation in channels or integrals. Bug fixes: 1. The program may run into an infinite loop due to rounding errors (energy loss in extremely thin layers is rounded to 0). This bug is observed very seldomly. Bug fixed. 2. For thin targets the program may step beyond the total target thickness due to rounding errors. This bug is observed very seldomly. Bug fixed. 3. Rounding errors on energy axis for small intervals. Bug fixed. 4. Clicking the Prev or Next button in the Target-editor could discard the last input. Bug introduced in 5.84. Bug fixed. Version 6.0 Changes: 1. New registration number. Bug fixes: 1. Small numerical inaccuracy in the calculation of the brick shape. Only visible without straggling and detector resolution < 2 keV. Bug fixed.