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LADR — Changelog

v1.1.07 — (Not yet released)


v1.1.06 — 2021-01-18

Fixed bug with secondary standard corrections: measured values on secondary standards that are below detection will no longer contibute to correction factors.

Fixed bug on Internal Standard form. This table would "jump around" when editing values. That behaviour has now been fixed and the table should work as expected.

Fixed bug with normalisation to total quantification method: the normalisation total set on the analysis entry is now used correctly, whereas previously it was being ignored.

Fixed bug with Analysis Log Review form that prevented changing the QS.

Fixed bug with loading Analytik Jena PRN files. Also updated AJ CSV file loading to support new timestamp format.

Fixed bug on UPb ratio charts that used to cause automatic scaling issues.

Fixed bug with Analysis Log and Analysis Log Review windows that would cause Fill Down of integration periods to not be consistent with the spike removal behaviour.

Fixed bug with Analysis Log Review form where occasionally editing of time periods would result in computed UPb ratio markers (i.e. "Live Results") disappearing.

Fixed bug with Gas Blanks form. The Gas Blank summary chart will now show correctly, where as previously it would only appear once the backgrounds were generated.

Fixed bug with Analysis Log that would cause an exception when selecting an interval on the chart but outside the chart boundary.

Fixed bug that would result in the Analysis List becoming unsorted following use of the "Copy Timeperiods to All Samples" command.

Added support for fixed settling time when computing proportional jump times for sequential mass spectrometers (e.g. quads). The default value is 1.5 ms but can be edited in the Profile options. NOTE: There was a bug in this feature but it was fixed with the 2021-01-18 re-release of LADR v1.1.06.

Added support for laser log files from NWR ActiveView2 software. While they load correctly, please note that these log files do not contain information about laser conditions.

Added loading of Nu Instruments Plasma I RUN files. Note that loading these files requires the mass list to be specified, as well as detector types (if relevant).

Added option to change uncertainty value (between standard error and standard deviation) shown by uncertainty ellipse on concordia plots. Right click to access the menu.

Added option to Analysis Log and Analysis Log Review windows that can "Fill Down" the interval duration. If the duration is too long for a sample then it will be automatically truncated.NOTE: There was a bug in this feature but it was fixed with the 2021-01-18 re-release of LADR v1.1.06.

Improved loading of Nu Instruments Plasma II TRA files so that the detector type is correctly assessed and the appropriate uncertainty model applied.

Improved spike removal behaviour: if you shrink an interval then spikes outside the new interval will be restored.

Improved behaviour when editing numerical values (e.g. RM compositions or IS values) so that entering invalid numbers results in the edit being aborted, where as previously it would set "NaN" for the new value.

Improved behaviour when returning to the Analysis Log Review form, if the current project does not contain UPb or Quantified Ratios, then the default tab will be set automatically to show Trace Elements.

Improved behaviour so that on opening the Analysis Log Review form the Gas Blank and Calibration curves are only generated if the project contains UPb Quant Setups.

v1.1.05 — 2020-04-30

Fixed critical bugs in LogBook loading that were accidentally introduced in v1.1.04.

Improved reporting on LogBook loading to show all unmatched RMs as part of the error report.

v1.1.04 — 2020-04-28

Added "Import from File" feature to Analysis Log.

Added "Export to File" feature to Analysis Log.

Added support for Qtegra Intstrument Control export format.

Added support for iCAP TQ CSV files exported by Qtegra.

Added support for Neptune FIN2 files.

Added support for Perkin Elmer NetCDF files (*.nc).

Added down-hole validity window to trace element chart on Analysis Log Review window.

Added warning to QS validation for the obscure situation when all masses are set to "exclude from total".

Added uncertainty multiplier to the UPb concordia plots. Default is 2 sigma.

Added correlated uncertainty ellipses to concordia plots.

Added new support for laser log files. Initial offering includes GeoStar CSV and Verbose LOG files, with additional formats added by request.

Added updated LogBook editing tools which greatly assist when manually created a LogBook, especially when data are measured in a single file.

Removed Poisson uncertainty model from MC Faraday measurements. Calculated results will remain the same but signal uncertainty is based entirely on observed variance.

Revised behaviour so that sum data are correctly regenerated following Log Book edits.

Revised behaviour so that a new QS will not have a default IS. This ensures that the IS is set correctly, rather than using the default value which is quite likely to be wrong.

Fixed bug causing weight percent compound values to be reported in weight percent in Excel export.

Overhauled CSV export files. These now contain the same information as the Excel export, with section headers that match the worksheet names.

Improved results table by adding log book and analysis list numbers as columns.

Revised results table so that some results columns are hidden by default, right click on the header to customise columns.

Improved results table so that sorting now works more consistently and effectively.

Modified clean up routine when used for UPb and quant ratios. This only applies if the QS options have been edited to "clean up" prior to quantification of UPb and quant ratios. If "ratio of means" (recommended default) is used then the raw data are now cleaned up separately, but if "mean ratio" is used then the ratio data are cleaned up, as before. This only makes a small change to how some values and uncertainties have been computed in the past and for "normal" data (i.e. low noise, no spikes) there is no need to recompute old projects.

Fixed bug where fill-down of Quant Setup on Analysis Log Review window was not working.

Removed the option to input internal standard values as "compound". The reason to remove this is that the "compound" did not align with the stoichiometry set up for the QS, and instead defaulted to a basic oxide using arbitrary default valences that cannot be changed.

Fixed bug with internal standard window where UPb and Quant Ratio QSs would still ask for an internal standard concentration.

Fixed bug with internal standard window where the internal standard status (tick or cross) would not update after some edits.

Improved UPb concordia plots: these now remember all appearance settings when the form is saved.

Streamlined, improved, and updated all concordia plot settings. Right click on plot for updated menu options.

Exposed support for "mass mappings" feature that allows loaded isotopes to be mapped to alternate values.

Modified "Fill-Out" routine to provide additional options and better matching against sample names.

Updated manual to version 2020B.

v1.1.03 — 2020-02-25

Improved behaviour of Analysis Log and Analysis Log Review forms, it is now possible to edit timeperiods without resetting the manual zoom.

Improved behaviour so that now all data or log book files can be opened by LADR even if they are also open in other software, such as Excel.

Improved behaviour when loading data, if the automatic timing template contains estimated values that have not been reviewed, a warning is shown and the Edit Timing Template window automatically displayed.

Added support for new data file format: iCAP InstrumentControl CSV file.

Updated naming of data file formats to give better consistency. References to "iCAP" refers to the entire product line, either the "Q", "RQ", or "TQ" models.

Added internal standard concentration uncertainty to "Full Analytical Uncertaintly" reporting level.

Added support for an uncertainty value on the normalisation total, and this is reported as part of the "Full Analytical Uncertaintly" reporting level.

Added support for new timestamp format in Analytik Jena PRN data files.

Added support for invalid readings (represented by "######") in Analytik Jena PRN files.

Fixed bug where file loading form would not remember the last used data file format.

Fixed unhelpful and incorrect tool tips on the analysis log navigator control.

Fixed bug where calibrations window would sometimes crash.

Fixed bug where calibrations would crash if maximum curve fit set to constant or linear.

Fixed bug with calibrations chart: when using split/interpolated curves, the last timeperiod would not always be visible.

Fixed bug on gas blanks and calibrations: "Show on Chart" from the right click menu on timeperiod list now works correctly.

Fixed bug where "Gas Blanks" and "Maps" sample type navigation buttons would be shown on chart navigation controls on some forms.

Updated manual.

v1.1.02 — 2019-11-04

Added support for global mirrors. If you encounter any connectivity issues with norsci.com then please use norsci.asia or norsci.co.uk, whichever is closest.

Fixed minor bug with selection of multiple intervals in the analysis log review window. The option clears once an interval has been added.

Fixed minor display bug in results where compound total showed the same value as element total when "Auto PPM" display value is selected.

v1.1.01 — 2019-10-29

Added common lead correction to UPb module. This routine allows cPb to be removed from UPb standards by one of three routines: 207/206 ratio, 208 and 204. Please refer to the manual for a full description of the new features.

Added U238/Pb206 ratio to UPb ratios for quantification.

Added view option for Quantification Setups in the Profile. Any QS must be copied to a Project before it can be edited.

Added file loading support for Nu Plasma II instruments.

Added support for importing reference material files from Iolite v4 JSON files.

Added "Auto PPM" view to results window. If chosen, results below 1 wt% are shown in PPM and those above are shown in wt%. Exported values remain in PPM.

Improved behaviour and appearance of the Analysis Log and the Analysis Log Review forms.

Improved behaviour, when editing calibration models the curve names are updated in a more consistent way.

Improved behaviour, the drop-down list of RMs for UPb ratios is now correctly limited to calibration standards in the project.

Improved handling of laser parameter grouping to make it more consistent across all QS modules.

Improved text on Analysis Log Review panel to show descriptive text for spike removal levels.

Improved display of concordia charts so that RMs from the project, or the profile, or none, are shown on plots.

Improved controls on Analysis Log Review panel, delete timeperiod button now shown on UPb ratio plots.

Improved QS editor, when UPb module is disabled (requires measurement of at least U238 and Pb206) the checkbox cannot be used to turn on the module.

Changed behaviour, when loading Agilent AcqMethod.xml files for dwell time information the file load filter will use "*.xml" and show all XML files, making it easier to support multiple method files in the one project.

Fixed bug with loading Element 2 FIN files, if the resolution is included in the header then it will now be handled correctly.

Fixed bug with importing GeoRem reference materials where "FeO(t)" was not being correctly processed.

Fixed bug in calibration curve generation that affected some projects.

Fixed bug with loading dwell times from Agilent AcqMethod.xml files.

Fixed bug when editing RM values as oxide weight percent.

Fixed bug caused by double clicking empty space on the timing template list during file loading.

v1.0.10 — 2019-07-31

Improved program behaviour so that when elements are added by stoichiometry and also measured (e.g. S in sulfides) their measured values will be correctly hidden. There is an option ("Results.DisplayMeasuredStoichCompoundConcentration") on the profile that can be set to show the measured values.

Fixed bug in results where "Counts" values were shown incorrectly (display bug only).

Fixed bug introduced in v1.0.09 where the "Matrix Correction Factor" was not applied correctly.

Added additional system information (.NET version, OS type, CPU count, etc...) to error reporting.

v1.0.09 — 2019-07-25

Known Issue: Manually-entered matrix correction factors are not applied. Please upgrade to next version.

Added uncertainty for matrix correction factors.

Added new version checking.

Added support for multiple sample types in the log book file.

Added support for site licencing.

Added universal support for "mass mappings" using a lookup table in the Profile. This allows for a default library of mass number to element mappings to be established for re-use in subsequent projects.

Changed result table to show integration period in relative time. Previously it was absolute time which is less useful.

Fixed bug with deleting Analysis Log entries using the right-click menu: they would not be immediately removed from the chart.

Fixed bug with output file (CSV or XLSX) not containing columns (and values) for stoichiometric compounds.

Fixed bug that can cause some UPb ratio charts to not show correctly on some samples.

Fixed bug in results table where "Yield Curve" and "Calibration Curve" would show the same value.

Fixed bug in results table where "Normalising Mass Concentration" for "Normalisation to Total" calculation would erroneously show "1".

Fixed bug with calculation when computing Pb (or U) isotopes separately and using a Pb or U isotope as an internal standard for trace element calculations.

Fixed bug with trace element stoichiometry GUI. Masses that will not be quantified will not take stoichiometry information.

Fixed bug with loading Agilent QQQ files. Note: It is, however, still possible to configure QQQ methods that report a different mass in the AcqMethod.xml file compared to the CSV data file and LADR is unable to fix that automatically.

v1.0.08 — 2019-05-22

Added updated and complete manual "LADR B.2019".

Improved behaviour of QS form: quant ratios down hole is disabled when checkbox is unticked.

Fixed bug in results with multiple QSs where one has quant ratios and one does not.

Fixed bug in calculation where quant ratios are deleted after calibrations are created.

Fixed bug in data point lookup exposed by TOF data collected in "continuous" mode.

v1.0.07 — 2019-05-16

Added progress indication and an abort button to complement most long-running operations.

Added new progress screen, replaces pop-up windows that could result in crashes under some circumstances.

Upgraded 7-Zip binaries to latest version (v19.00).

Removed colours from log book table. Origin of entries now indicated by column.

Improved performance when showing forms.

Changed default appearance of charts from low quality to high quality rendering.

Fixed bug that would crash form when merging backgrounds that had previously been split.

Fixed bug where signal indicators on backgrounds chart would fall outside the chart area.

Fixed bug in enabled/disabled state of buttons on drop down menu on log book form.

Fixed bug in log book form: delete button on chart would not disappear when clicked.

Added "zoom to selection" to log book context menu.

Fixed bug prohibiting deletion of multiple log book entries.

Updated all text in software to consistently refer to "gas blanks" instead of "backgrounds".

Updated any incorrect spellings of "sulfur".

Replaced error tree on "calculation inspector" form with one that shows more information and is not buggy.

Changed laser time form so that when using "fixed rise times" the stable signal time is updated automatically when adding/moving the laser aerosol arrival time.

Fixed calculation bug when calculating Pb (or U) isotopes separately and a Pb (or U) isotope is used for the internal standard.

Improved behaviour of laser times form: list of problems maintains position as problems are remedied.

Action buttons removed from charts when they are saved (using the right-click menu).

Improved behaviour of log book table. When editing entries towards the bottom, changes no longer trigger an unwanted jump back to the top.

Added missing default valence for Fr in element list. This would cause form to crash when it was selected in the element list in the RM editor.

Updated element list to include new names for heavy (and not applicable to LA–ICP–MS) elements.

Revised all default locations and appearance of all forms on first run.

Added new manual and some context-sensitive help. Requires a PDF viewer (any kind, Sumatra PDF works well) to be installed on the system.

New licensing system.

New look and feel.

New corporate branding.

v0.7.04 — 2019-04-20

Fixed bug in downhole correction routine.

v0.7.03 — 2019-04-17

Added "none" to the the stoichiometry load defaults right-click menu.

Added button to calibrations form to generate automatic curves for a single QS.

Improved appearance of UPb concordia plots: mean shown is the same as the quantification style, i.e. ratio of the means or mean ratio.

Improved project fragment recovery in case of form crash. If the Analysis Log Review form was to crash, dumping you back to the main form, simply re-open the form and you will be prompted to recover your work, if you so wish.

Fixed bug when viewing data normalised to internal standard.

Fixed bug when resizing timeperiods using either the background or calibations forms.

Fixed bug with results form, the option "Results.DisplayMeasuredStoichCompoundConcentration" now works correctly.

Fixed bug with stoichiometry. Elements that won't be quantified used to have their stoichiometry hidden from the user, but it was still being set using the "Load Defaults" right-click menu. This resulted in some strange formatting of the results table. To resolve, the stoichiometry is now shown for all elements, even those that won't be quantified.

Fixed bug where fill-down would incorrectly apply stoichiometry elements to themselves, causing the QS validity to fail.

Fixed bug with loading stoichiometry defaults. Previously, loading the correct defaults for all masses would require loading the defaults twice.

v0.7.02 — 2019-04-12

Added visual indicator to UPb and QuantRatio charts on Analysis Log Review form to show mean ratio and mean age.

Added zoom to interval button to timeperiods on chart. Improved position of reset zoom button.

Added preferred default file format for each ICP manufacturer. This does not override the single default format that can be set in the settings.

Added "As" and "SAs" to stoichiometry.

Added pop-up message when saving options form when editing default values in the Profile.

Added support for loading Analytik Jena "PRN" files. Also fixed incorrect spelling ("Analytic") throughout program, sorry guys.

Added support for using sample name from Thermo iCAP CSV files.

Revised main workflow behaviour so that copying of QSs from profile to project only takes place after file loading or log book forms.

Revised validity check for quant setups. If secondary RMs are present in the log book, but not used by the QS, then an information-level message is displayed.

Improved behaviour so that any editing to background curves will clear calibrations for that mass.

Improved error reporting following a calculation. Information messages will no longer trigger the error display.

Improved UPb concordia plot auto scaling.

Fixed bug with calibration generation, curves for some masses not being generated during automatic generation.

Fixed bug that would cause some popup notifications to not appear.

Fixed bug when importing an old QS from the profile, some of the compatibility checks would not take place and the QS would end up with invalid options (e.g. calculate U238 from U235 when no U235 in the project).

Fixed bug with analysis log: new intervals would not appear on the chart.

Fixed bug where splitting backgrounds would result in two with same name, and inability to proceed with the workflow.

Fixed bug with error reporting when two backgrounds have the same name.

Fixed bug with Log Book right-click feature "Duplicate to End of File".

Fixed bug with laser parameters. If there are no time periods allocated to samples with unique laser parameters then those sets of parameters are ignored.

v0.7.01 — 2019-03-31

Major performance improvements throughout the software.

Added basic colouration to the results page. There are three levels of RSD(%) which can be colour-coded based on their uncertainty. Use the option ("Results.Colouration.Enabled") to enable.

Added support for progress bars during calculations. "Abort" will be added in next version.

Added option to control rejection of non-unique masses during file loading. The default value is permissive.

Added option to set the detection limit multiplier of the noise on the background. The default value is 3.

Added option to choose how to compute the number of readings in the background for use by the detection limit calculation.

Revised behaviour during time interval selection. Editing is now much smoother.

Revised uncertainty calculation to correctly include terms from interference corrections.

Revised the detection limit check. The internal standard is now also checked for being above the detection limit. If below, the result is shown as "< DL" as the actual concentration of the DL cannot be reported.

Revised calculation to improve performance by refining background calculation expression.

Revised behaviour of Excel export: all values exported with 15 significant figures, and the "Information" worksheet has been moved to the start of the workbook.

Revised GUI: changed references to "SRM" to "RM" to be consistent throughout the program.

Revised behaviour when deleting or renaming QSs. The behaviour now matches that of RMs, and allows QSs to be substituted and generally manipulated in more sophisticated ways.

Revised behaviour of results table. UPb ages are now correctly updated when viewing other computed values. Also known ages are shown on RMs. The known ages shown are the ages per ratio, i.e. discordant.

Fixed bug on QS form where the QS delete and copy buttons would not activate correctly on first appearance.

Fixed bug where dragging calibration or background boundary all the way to the start or end would result in curves without integration periods.

Fixed rare bug where folder locking during file load and save could cause the program to crash.

Fixed bug on Calibration form where in some rare circumstances invalid downhole curves would be considered valid.

Fixed bug with UPb downhole correction where Pb207/U238 curve would not be applied. The Pb207/U238 curve is only used when the calculated U235 value is included in the calculation.

Fixed bug when exporting results to Excel: percentage signs are no longer included in the output file.

Fixed bug with loading of CODES logbook files.

Fixed bug with colouration.

v0.6.09 — 2019-02-11

Added orthosilicate (SiO4) anion to QS stoichiometry.

Fixed bug in calculation of interference corrections.

Fixed bug in loading of "continuous" TOF data files.

v0.6.08 — 2018-10-26

Fixed bug with spike removal. Under some conditions spikes were being identified but not correctly removed.

Revised behaviour of laser time detection, improves reliability in projects with exceptionally short sweep times.

v0.6.07 — 2018-10-15

Reduced memory usage by 50%.

Revised clean up routine to include first and last sweeps in the interval.

Fixed bug in clean up routine that under some conditions would cause an artificial spike to appear at the first sweep of the interval.

Fixed bug with calibration curve applicability in U/Pb in projects with multiple sets of laser conditions.

Fixed bug leading to crashes during spike removal and generation of downhole correction models.

v0.6.06 — 2018-09-19

Added file loading support for TOFWORK Tofware v3. Loaded sections are compulsory. Acquisition time in header section is compulsory. Total ion counts in its own section is compulsory.

Added file loading support for Nu Attom data files. Note: for now these files are loaded with sequential readings. This behaviour will be revised in the next release.

Added SRM importers for GeoRem, Iolite, Glitter, LADR Projects, LADR Profiles, and generic CSV and tab-delimited TXT files.

Added auto recovery file to "Analysis Log Review" form. This is a trial of a feature that will be extended to all forms in the next release. Auto recovery is performed when you next open the project file. It is only enabled for projects that have been saved at least once.

Added loading of "total ion count" from TOF data files as ancillary data.

Added ancillary data feature to data plot. The ancillary data can show any data that are related to the LA–ICP–MS data set, either time-resolved such as instrument temperature, chamber vacuum, or intermittent, such as sample exchanges. The ancillary data chart is shown by right clicking on the chart and choosing the option.

Added controls to change the number of significant figures and uncertainty shown on interference corrections in the QS editor.

Added support for multiple overlap corrections. However, we do not support recursive overlaps, e.g. MassA → MassB → MassC.

Added validation support to overlap corrections. Indicators are shown on QS configuration form. This also "bubbles up" to alter QS validity as required.

Added extra information about interference corrections to calculation explorer.

Revised behaviour, data file type and loading options are now read only after first file is loaded.

Revised behaviour, when reviewing a loaded project the data file type and loading options are shown as per the data files in the project.

Revised appearance, program now uses "Reference Material" consistently throughout the interface.

Fixed bug on Analysis Log Review form that affected long projects (>1000 samples) and caused a spontaneous hard crash of the entire program.

Fixed bug where loading data files (> 50) with errors would crash program as pop-up error message was too long to display.

Fixed bug where automatic isobaric interference button would not do anything.

Fixed bug with auto time periods. If the aerosol arrives late (delayed trigger or timing mixup) then the max interval duration is truncated. Previously this check was performed on all samples, now it only occurs on the standards.

Fixed bug where some QSs in Profile would disable UPb option.

Fixed bug where loading a Project could reset options in the Profile.

Fixed bug where the laser params mask checkbox values were not being saved to disk in either Projects or Profiles.