This file describes the changes and bug fixes in SIMNRA from version 6.0 to version 7.0 Version 6.01 Changes 1. Faster energy-loss calculation (by factor 2-3) with SRIM_2003 stopping powers. Bug fixes 1. Very thin layers (with energy-loss in the layer below 0.1 keV) were neglected. Bug fixed. Version 6.02 Bug fixes 1. Electronic energy loss straggling got inaccurate for very large energy losses, when the ion energy approached zero. Bug fixed. Version 6.03 Identical to 6.13, see there. Version 6.04 Identical to 6.14, see there. Additional changes: 1. Dual scattering calculation now without isotopes, resulting in faster calculation. 2. Dual scattering calculation now possible with non-Rutherford cross-sections. Additional bug fixes: 1. In a few special cases the error message 'Too many data points' was shown erroneously. Bug fixed. 2. Geometrical straggling calculation was only correct for IBM geometry. Fixed for Cornell geometry. Geometrical straggling calculation is not possible for general geometry. Version 6.05 Changes 1. Lowest possible cut-off energy 1 keV (instead of 10 keV). 2. Improved compatibility with IBANDL cross-section data files. 3. Link to IBANDL in Help:IBANDL Cross-Sections. 4. Files Stop\SRIM2003_*.dat and Stop\ZB_*.dat are deleted during uninstall. Bug fixes 1. Endless loop if a layer contains only elements without outgoing particles, and other layers contain outgoing particles. Bug fixed. Thanks to Dr. K. Ertl. 2. Reaction angles in files 16ODA_2.R33 and 16ODA_3.R33 were interchanged. Bug fixed. Thanks to Dr. F. Munnik. 3. The spectra for H, D and T are drawn in the same colour, if spectra of isotopes are shown. This happens only if H, D and T are used as elements in the target. Bug fixed. Thanks to Dr. K. Ertl. Version 6.06 Changes 1. Reading and writing of IBA data format (IDF) and xnra files. 2. Faster startup when running as OLE server. Version 6.07 Changes 1. Maximum number of layers changed to 1000. Bug fixes 1. Files HHEHHE30.R33 and HHEHHE35.R33 contained cross-section data for 25° and not for 30° and 35°. Bug fixed. Version 6.10 Changes 1. Factor in L'Ecuyer screening function changed from 0.049 to 0.04873. 2. Progress window can be switched off. 3. COM-function App.CalculateSpectrumFast added. Version 6.11 Changes 1. Pre-calculation of Ziegler-Biersack stopping powers, resulting in faster energy-loss calculations by a factor of 2-3. 2. Improved algorithm for straggling calculation. 3. Log-file format changed. Version 6.12 Bug fixes 1. Straggling due to multiple scattering was not propagated in foil. Bug fixed. Version 6.13 Changes 1. Improved step-width control at layer boundaries. Bug fixes 1. Energy-loss straggling was inaccurate for nuclear reactions. Bug fixed. 2. File:Print did not work correctly. Bug fixed. 3. Log-file was written to the SIMNRA base directory, if no nra-file was opened or saved. SIMNRA base directory is read-only without administrator privileges. Bug fixed. 4. Non-registered version did not work properly with VIEWNRA 2.0. Bug fixed. Version 6.14 Changes 1. File format of File:Write Spectrum Data changed. Tab is used as separator. 2. New format of User's Guide. 3. Faster dual scattering calculation. 4. Cut-off angle for dual scattering calculation is adapted automatically to the incident angle, resulting in improved accuracy at grazing incidence. Bug fixes 1. Calculation of pile-up was inaccurate if pile-up rejector was on and pulse rise time was very long (> 5 µs). Bug fixed. 2. Calculation of pile-up was inconsistent between pile-up rejector on and off. Only relevant at very high count rates, when losses from channels play a role. Bug fixed. 3. In special cases a NRA-file containing the unknown element 'XX' can be written. This file cannot be opened again. Bug fixed. 4. Calculation was incorrect, if dual scattering and multiple scattering were switched on simultaneously. Bug fixed. 5. Dual scattering calculation was only fully correct for IBM geometry, including normal incidence. Changed to general geometry. Version 6.15 Changes 1. Dual scattering calculation now without isotopes, resulting in faster calculation. 2. Dual scattering calculation now possible with non-Rutherford cross-sections. 3. New OLE-object Projectile, containing projectile parameters. Bug fixes 1. In a few special cases the error message 'Too many data points' was shown erroneously. Bug fixed. 2. Incorrect fit if the number of fit regions > 1 and Chi2-Evaluation = Integrals. Bug fixed. 3. Geometrical straggling calculation was only correct for IBM geometry. Fixed for Cornell geometry. Version 6.20 Changes 1. Geometrical straggling calculation re-worked. Beam and detector diaphragm now with width and height. Geometrical straggling in general geometry was calculated for fixed azimuth angle before, which is generally not correct. Geometrical straggling for general geometry is now set to zero. 2. Multiple scattering calculation re-worked. The effect of angular spread for general geometry is now set to zero (was for fixed azimuth angle before). 3. New icons for Windows Vista. Version 6.21 Changes 1. Energy loss straggling and geometrical straggling described by asymmetric Gaussian functions. Multiple scattering still Gaussian. Bug fixes 1. Several memory leaks fixed. 2. Endless loop if a layer contains only elements without outgoing particles, and other layers contain outgoing particles. Bug fixed. Thanks to Dr. K. Ertl. Version 6.23 Changes 1. Read spectrum data in RUMP's swallow format. Version 6.26 Changes 1. Multiple scattering with parallel and perpendicular contributions on incident path for IBM and Cornell geometries with asymmetric Gaussian functions. Version 6.28 Changes 1. Multiple scattering with parallel and perpendicular contributions on incident and exit paths, for IBM, Cornell and General geometries, with asymmetric Gaussian functions. Version 6.29 Changes 1. Several bug fixes associated with asymmetric Gaussian functions. Version 6.30 Changes 1. Fast calculation for dual scattering and target roughness. 2. Improved calculation of geometrical straggling and multiple scattering in IBM geometry: Improved consideration of correlations for exotic geometries. Bug fixes 1. Division by zero, if energy was smaller than lowest energy in stopping power data file. Bug appeared very seldom. Bug fixed. Version 6.32 Changes 1. 3rd moment of electronic energy loss straggling derived from free Coulomb scattering. Version 6.33 Changes 1. Read Spectrum Data in energy/counts format. Equidistant and non-equidistant energy steps possible. 2. New cross-section data files for 13C(3He,p1)15N to 13C(3He,p16)15N reactions. No cross-section data available, only for kinematic calculations. Bug fixes 1. Reaction angles in files 16ODA_2.R33 and 16ODA_3.R33 were interchanged. Bug fixed. Thanks to Dr. F. Munnik. Version 6.40 Changes 1. Improved compatibility with IBANDL cross-section data files. 2. Cross-section data in Reactions menu are now ordered according to type of reaction, isotope mass, mass of outgoing particle, Q-value, and reaction angle. 3. Cross-section data can be in CrSec directory and sub-directories. 4. Cross-section data from IBANDL included. 5. File REPLACE640.LST for compatibility to nra-files created with SIMNRA versions prior to 6.40. 6. Lowest possible cut-off energy 1 keV (instead of 10 keV). Version 6.41 Changes 1. Nuclear stopping power models: None or Universal potential. 2. Link to IBANDL in Help:IBANDL Cross-Sections. 3. Files Stop\SRIM2003_*.dat and Stop\ZB_*.dat are deleted during uninstall. Bug fixes 1. The spectra for H, D and T are drawn in the same colour, if spectra of isotopes are shown. This happens only if H, D and T are used as elements in the target. Bug fixed. Thanks to Dr. K. Ertl. Version 6.42 Changes 1. IBANDL_Manager 2.0 for compatibility with new IBANDL file structure, introduced October 2009. Version 6.43 Changes 1. Registration number is now used for all users of the computer, not only for the current user. Version 6.50 Changes 1. Ability to read and write IBA data format (IDF) files. 2. New default file format: xnra. The old nra file format can be read, but cannot be written any more. 3. Arbitrary layer roughness distributions can be used by reading distribution functions from file. Version 6.51 Changes 1. The decimal separator for floating point numbers is now taken from the Windows regional settings and can be for example ',' instead of '.'. The decimal separator is always '.' for input from or output to files. 2. IDF 1.01 implemented. Version 6.52 Changes 1. Universal screening function for Rutherford backscattering cross section. Bug fixes 1. Error when reading foil data from xnra files. Bug fixed. Version 6.53 Changes 1. Window for external beam. 2. Target, Foil and Window can be saved in xnra file format. 3. Setup can be saved in xnra file format. Default setup is in xnra file format. 4. Splash-screen is shown only as long as necessary if running as OLE server. Version 6.60 Changes 1. Layer porosity. 2. crossectionoverride/Rutherford in IDF-files, minimum and maximum energies for Rutherford cross-sections. 3. New Foil OLE object for access to all foil properties. 4. Individual layers can be read and written in xnra file format. Bug fixes 1. Incorrect taborder in Reactions form. Bug fixed. 2. Some bugs in reading IDF files from NDF. Bugs fixed. Version 6.63 Changes 1. New Windows 7-style icons for Open, Save, Save as etc. Bug fixes 1. Fonts for caption and labels on energy axis were not identical to channels axis. Bug fixed. Version 6.70 Changes 1. Full compatibility with Windows Vista and Windows 7. 2. Unicode compatibility. 3. Detector sensitivity. 4. Detector sensitivity can be read from .dat and IDF files. 5. SIMNRA thumbnail provider and OLE methods for creating thumbnails. The thumbnail provider works only with Windows Vista and Windows 7 32-bit. 6. Windows 7 icons for menu items and toolbar. Bug fixes 1. Label of top energy axis was outside of plot for small plot sizes. Bug fixed. Version 6.71 Bug fixes 1. SigmaCalc cross-sections were always automatically selected, even if the user already unselected them. Bug fixed. 2. In some cases SigmaCalc cross-sections were selected twice. Bug fixed. Version 6.72 Changes 1. Weighting of cross-sections by straggling included. 2. New OLE property Calc.CrossSecStraggling for weighting of cross-sections by straggling. 3. Display of a hint for all spectra. 4. Complete overhaul of the RBSChart component. 5. SIMNRA.CrossSec automation interface added. Bug fixes 1. Multiple scattering was buggy in some geometries, for example IBM geometry at backward angles (IBM2). This bug was introduced in version 6.28. Bug fixed. 2. With logarithmic y-axis the minimum was automatically set to 0.8, even if the spectrum contained lower numbers of counts. Bug fixed. 3. Self-defined colors of spectra were not reset with File:New. This bug was introduced in version 6.70. Bug fixed. 4. Simulation crashed if Log-file was selected and detector was time-of-flight. Bug fixed. Version 6.73 Changes 1. Spectra of elements and isotopes are always calculated. 2. New "Plot:Show Element Spectra" and "Plot:Show Isotope Spectra" menu items. 3. xnra file specification 1.1. Spectra of elements and isotopes are stored in xnra files. 4. Improved calculation of spectra at the junction of two cross-section data sets. Version 6.74 Changes 1. Missing properties/methods for a number of OLE automation objects implemented. 2. New Simnra.Window automation object. Bug fixes 1. Some bugs introduced in version 6.73 change 4. fixed. Version 6.75 Changes 1. Complete rework of the SIMNRA User's Guide. Bug fixes 1. Incorrect proton mass, if a RUMP RBS file was read. Bug fixed. 2. Incorrect energy-loss was displayed in the Calculate:Stopping form, if asymmetric Gaussian is selected and the energy-loss is large. This bug was introduced in version 6.30. Bug fixed. 3. Help-button in the Target:Layer porosity form did not work correctly. Bug fixed. 4. Help-buttons in the Target:Foil and Target:Window forms did not work correctly. Bugs fixed. 5. Help system did not work as intended with Adobe Reader X and higher due to changes of the DDE service naming convention by Adobe. Bug fixed. 6. Taborder was incorrect in some forms. Bug fixed. Version 6.76 Changes 1. Complete overhaul of all forms, Segoi UI 9pt as standard font for improved readability. 2. Overhaul of Setup program. 3. libxml2 version 2.9.1 (32 bit) used. Bug fixes 1. Layer roughness form showed incorrect behaviour if the roughness distribution was read from file and the file was not readable. Bug fixed. 2. Stopping correction form showed a protection fault, if the number of stopping correction factors was larger than the number of available elements. Bug fixed. Version 6.77 Changes 1. Cosmetic changes on several forms. 2. Overhaul of all error messages with respect to Microsoft Style Guide. Bug fixes 1. Several bug fixes in setup program if components were not selected. 2. Some forms were not usable (too large) in screen resolution 800x600 and 144 dpi. Bug fixed, all large forms now show scrollbars if used at small screen resolutions. Version 6.78 Changes 1. Cosmetic changes of all error, warning, information and confirmation messages. 2. App.Open reset to compatibility with SIMNRA 6.06. Bug fixes 1. Setup program wrote short path names instead of long path names to registry. Bug fixed. 2. Uninstaller did not delete some registry entries. Bug fixed. 3. Possible incorrect paths if identical versions were installed twice without uninstall. Bug fixed. Version 6.79 Changes 1. Smoother transition of two-piece normal distribution in the vicinity of the transition point from s_low (or s_up) = 0 to s_low and s_up <> 0. 2. Improved abort criterion for calculations including NRA. 3. SIMNRA starts hidden if called through OLE/COM. 4. New OLE automation methods for legend manipulation. Bug fixes 1. Save Experimental Setup, Save Calculation Setup, Save Target, Save Foil, Save Window, Save Layer produced errors. Bugs fixed. 2. Empty layers were not saved without showing an error message. Not really a bug, but unexpected behavior. Fixed: Empty layers are still not saved, but an error message is shown. 3. Save Experimental Setup as Default and Save Calculational Setup as Default did not work with Windows Vista and above. Bug fixed. Version 6.80 Changes 1. Manifest for 144 dpi awereness. 2. Manifest for compatibility with Windows Vista and Windows 7. Bug fixes 1. Several minor display problems at 144 dpi fixed. 2. File SC.lst did not contain all SigmaCalc cross-sections for alphas. Version 6.81 Changes 1. Atomic masses from the 2012 update to the atomic mass evaluation. 2. Smoothed curve for experimental data. Bug fixes 1. SigmaCalc output files were only readable with administrator privileges, if created by a different user. This resulted in problems on multi-user systems. Bug fixed. 2. Spectrum colors stored in xnra files were not displayed correctly. Bug fixed. Version 6.82 Changes 1. New Spectrum.DataArray method. Version 6.83 Changes 1. Version system for SigmaCalc. Bug fixes 1. Error with smoothed curve if experimental data did not exist. Bug fixed. Version 6.84 Changes 1. List of stored solid angles in Calculate:Particles*sr form. 2. Updated version of SigmaCalc 2.0. 3. ThumbnailProvider and InfotipHandler are only installed with Windows Vista and later. Version 6.85 Changes 1. SIMNRA Property handler 1.0. 2. SIMNRA Infotip handler 2.0. Bug fixes 1. Plot:Autoscaling did not work correctly after reading nra files. This bug was introduced in version 6.30. Bug fixed. Version 6.86 Changes 1. Direct installation of SigmaCalc. 2. App.OpenStream method for streams. Version 6.89 Changes 1. Compiled with Delphi XE5. 2. 32-bit and 64-bit versions of all programs. 3. Element concentration set to 1 for layers with 1 element. 4. All names of curves are displayed for overlapping curves. 5. Legend items are coloured according to the colour of the corresponding curve. 6. 32-bit and 64-bit versions of prop.exe. Version 6.90 Changes 1. SIMNRA Property handler 2.0. 2. SIMNRA Infotip handler replaced by Property handler. Version 6.91 Changes 1. Reading of Canberra Cam-files through CanberraReadObject allows reading of Cam-files by 32-bit and 64-bit SIMNRA versions. 2. New COM interface TargetOut. 3. New procedures/properties Target.DeleteAllLayer and Target.Thickness. Also for Foil and window. 4. New property Calc.CreateSpectrumFromLayerNr. 5. Procedures Target.InsertLayer and Target.DeleteLayer improved to be much faster. Bug fixes 1. Spectrum.DataArray method did not work properly. Bug fixed. This bug was introduced in version 6.89. Version 6.92 Changes 1. New OLE methods CrossSec.SelectSigmaCalc, CrossSec.SelectSigmaCalcAll, CrossSec.UnselectSigmaCalc, CrossSec.UnselectSigmaCalcAll Bug fixes 1. Individual spectra of elements and isotopes were not correct, if App.DeleteSpectrumOnCalculate = False. Bug fixed. 2. Spectral data from CAM-files were not imported correctly, if created by a Lynx system and if the number of channels was larger than 1024. Bug fixed. Version 6.93 Changes 1. Import of spectra in Canberra's ava file format. 2. New procedure App.Reset. 3. Tool buttons with 24- and 32-bit images, depending on dpi setting. 4. New property Calc.Accuracy. Bug fixes 1. Writing of element and isotope spectra to file did not work correctly, if the spectra were not visible. Bug fixed. 2. Menu items were too dense and looked bad with Windows 8 and large fonts. Bug fixed. 3. Spectrum.DataArray returned the results as Integer numbers instead of Double. Bug fixed. Version 6.94 Bug fixes 1. Spectra of elements and isotopes were deleted if multiple spectra were superimposed and contained different elements. Bug fixed. Version 6.95 Changes 1. Status bar. 2. Display of X2 if experimental and simulated spectra are present. 3. New OLE method Calc.CalculateToEMin. 4. New OLE methods Target.StoppingFactor, Foil.StoppingFactor, Window.StoppingFactor. 5. OLE methods for handling isotopes in the target. 6. New OLE methods for unselecting cross-sections. 7. New OLE methods for hiding main menu, toolbar, statusbar. 8. OLE methods for accessing spectra of elements and isotopes. 9. Resize of the experimental spectrum. 10. New OLE method for showing cross-section window. 11. Overhaul of the OLE documentation. Bug fixes 1. Error message 'Cross-section file xyz not found.' for empty target and defined non-Rutherford (or NRA) cross-sections. Bug fixed. 2. Error message 'Error reading file xyz. This is not a valid SIMNRA data file.' for *.snra files. Bug fixed. 3. The message 'File xyz contains multiple spectra.' was displayed by the ThumbnailProvider or PropertyHandler in some cases of faulty xnra files. Bug fixed. 4. 'Division by zero' error when reading xnra files with one layer but without elements. Bug fixed. Version 6.96 Changes 1. Drag and drop of nra- and xnra-files. 2. Overhaul of chapter 3 of the SIMNRA User's Guide. 3. 'Resize energy calibration' check box in the 'Resize spectrum' form. 4. Setup program requires Windows 7 or higher. Installation on earlier versions of Windows is no longer possible. 5. Display of element and isotope spectra only if the spectra contain counts. 6. Color 'yellow' replaced by 'sky blue' for better visibility. Bug fixes 1. Real time and live time were read from file if 'Read from file' was used in the Setup:Experiment form. Bug fixed. 2. 'Range check error' when reading some RUMP files with differential integer compression. Bug fixed. 3. Property handler sometimes locked for 5-10 seconds. Saving, renaming and copying of nra- and xnra-files was not possible during that time. Bug fixed. 4. Some registry keys of the property handler were not deleted properly during uninstall process. Bug fixed. 5. Logarithmic axis scaling was not saved to xnra files. Bug fixed. Version 6.97 Changes 1. Read of FAST MPA file format. Spectrum data must be in ASCII format. Bug fixes 1. Wrong tab order in Calculate:Particles*sr. Bug fixed. 2. Incorrect starting directory in File:Save as dialog. Bug fixed. 3. Logarithmic axis scaling was not read correctly in some cases. Bug introduced in 6.96. Bug fixed. Version 6.98 Changes 1. Improved accuracy of Yang straggling. 2. All SIMNRA instances must be closed before a new version can be installed. Bug fixes 1. Error with Gamma-distributed layer roughness if the roughness width is much larger than mean layer thickness. Bug fixed. 2. Mass of projectile could be incorrect if an nra-file was read which has been created with an older version of SIMNRA. Bug introduced in 6.81 with improved atomic data. Bug fixed. 3. Buttons "Rutherford" and "No Rutherford" in the "Reactions"-Form did not switch on/off Rutherford cross-sections for the low-energy solution. Bug fixed. Version 7.0 Changes 1. New buttons "SigmaCalc" and "No SigmaCalc" in the "Reactions"-Form. 2. "Content" view in Windows Explorer shows ion species and energy for nra and xnra files. 3. "Content" view in Windows Explorer shows file content for r33 files. 4. "Help:About" shows information if this is the 32-bit or 64-bit version. 5. Considerably faster simulations by - Pre-calculation of Rutherford cross-sections, - Fast Gaussian function provided by Cleber L. Rodrigues, - Improved caching of stopping power data, - Minor enhancements. 6. Detection during the setup process if a previous SIMNRA version is installed and automatic un-installing. 7. Detection during the setup process if SRIM is installed. 8. New OLE functions App.SRIMDirectory, App.CalculatePileup, App.CalculateDualScatteringBackground. 9. New OLE functions Setup.ReadDetectorSensitivity, Setup.DetectorSensitivity, Setup.DetectorSensitivityFileName 10. Wider edit field for elemental concentrations in target form allows better readability, especially at higher dpi values. 11. Menu items for showing experimental and simulated data are now disabled if there are no data. 12. Improved handling of high-dpi devices (larger icons, wider forms). 13. Improved handling of small screens (if the form does not fully fit on the screen). 14. Dynamic handling of screen resolution changes. 15. Support for Adobe Acrobat Reader DC 2017 Version. Bug fixes 1. OLE functions CrossSec.SelectSigmaCalc and CrossSec.SelectSigmaCalcAll did not work correctly. Bug fixed. 2. Status bar was too low at higher dpi values. Bug fixed. 3. The selection "Setup:Calculation: Electronic stopping power data: User defined" was not stored correctly in xnra files. Bug fixed. 4. L'Ecuyer screening gave negative cross-section values at very low energies. Bug fixed. 5. Deleting experimental or simulated data did not reset the legend. Bug fixed. 6. Geometrical energy spread and multiple scattering were calculated incorrectly in some cases. The influence on the shape of spectra is small, but effective stopping powers and depth resolutions can be affected more strongly. This bug was introduced in version 6.21. Bug fixed. 7. Yang straggling created a floating point exception in rare cases. This bug was introduced in version 6.98. Bug fixed. 8. Stopping in the foil was calculated incorrectly in some cases. This bug was introduced in version 6.21. Bug fixed. 9. Canberra CAM files could not be opened if the file name contained special characters like German Umlaut or °. Bug fixed. Note: Characters in CAM file names are limited to ANSI. This is a limitation of Canberra's GENIE-2000 system. 10. Layer porosity did not work correctly for porous foils. Bug fixed. 11. If a stopping power file for an ion/element combination could not be created or could not be read correctly, then a calculation with stopping power equal to zero was performed. OLE functions (such as CalculateSpectrum) did not report an error. Bug fixed. 12. Incorrect spectra for rough layers, if the FWHM of the roughness distribution was below 1E-4 of the mean thickness. Bug fixed. 13. Elements deleted from the target still could appear in the legend. Bug fixed. 14. Read spectrum data:ASCII... skipped the last channel. Bug fixed. 15. KKKNS stopping power files were not deleted if SIMNRA was uninstalled. Bug fixed. 16. Thumbnail provider did not display thumbnails if the filename contained non-ANSI characters. Bug fixed.