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1. B Figure 14 Spectrum Search Search Parameters tab Standard All pieces of band information which are available from the query and library spectrum are reflected in the hit quality The information contains the position relative intensity and half width of each band A library spectrum band is considered to be identified in the query spectrum if this spectrum contains a band which position does deviate from the position in the library spec trum by less than the half width which difference between the half widths and relative intensities is less than factor 2 respectively This algorithm also allows to further specify the search result Select the appropriate option button to define whether the query spectrum consists of one main component or multiple components Use Existing Peak Table This algorithm uses an already existing peak table which enables you to suppress the influence of peaks originating from the substrate Depending on the measurement you can additionally define whether the spectrum to be searched for contains one component in case of a single substance or multiple components in case of compounds Spectrum Correlation This algorithm calculates the sum of the squared deviations between the query spectrum and the result spectrum for the data points of the range defined The summation can be limited to a spectral range selected by the user If you use this algorithm two additional drop down lists
2. OPUS opectroscopy Software User Manual SUPPLEMENT gt lt BRUKER LL 2006 BRUKER OPTIK GmbH Rudolf Plank StraBe 27 D 76275 Ettlingen www brukeroptics com All rights reserved No part of this manual may be reproduced or transmitted in any form or by any means including printing photocopying microfilm electronic systems etc without our prior written permission Brand names registered trademarks etc used in this manual even if not explicitly marked as such are not to be considered unprotected by trademarks law They are the property of their respective owner The following publication has been worked out with utmost care However Bruker Optik GmbH does not accept any liability for the correctness of the information Bruker Optik GmbH reserves the right to make changes to the products described in this manual without notice This manual is the supplement documentation for OPUS 6 Table of Contents Introduction suos rns OR ais DUNT DIEA LIEN ILS A 1 1 Easy Measurement Mode ehe ren nha ea se eos 3 1 1 T stalfatlOt vore cates Sex am EE DE ARATRI S MR CD ERR VA MER 3 1 2 Routine Wotkspace ornate d Ex Res RE PTS ad et ES VUE 4 1 3 Switching off Mode sisas tido 6 2 Accessories in Measurement Dialog and OVP 9 2 1 Accessories in Measurement Dialog o ooooooooooronoromo 9 24 AGcessories In OVP Loos densi etes pe SUE rd ves v ARA RA odis 10 2 3 Inserting accessory with acti
3. Normalization Method and Derivative are displayed Bruker Optik GmbH Supplement for OPUS 6 19 Up dated Information 20 Supplement for OPUS 6 Bruker Optik GmbH
4. kind of accessory and a shortened S N test one measurement performed r Accessory Test IV Accessory has to be tested Perform background measurement from chosen measurement experiment Figure 9 AAR Accessory to be tested If you deactivate the check box no OVP test channel will be set up Select the new test channel in OVP for the respective type of accessory Instrument Configuration Sample Compartment RT DLaTGS y Accessory Golden Gate e Title for new confiquration Load Image Add new o er Plane arre Caution ar man Figure 10 Setup OVP Accessory selected Bruker Optik GmbH Supplement for OPUS 6 11 Accessories in Measurement Dialog and OVP Afterwards click on the Measure LWN button to measure the laser wavenumber OVP will then enter the accessory recognition into the test channel configuration as defined in AAR If you perform measurements by using this type of accessory the test channel will automatically be recognized and the correct laser wavenumber used When inserting a different registered type of accessory only the S N test will be performed OVP Inserting accessory without activated AAR In this case the firmware defines all accessories inserted by a question mark in the optics Therefore these types of accessories will neither be recognized by OVP nor displayed in the measurement dialog see figure 7 You have to manually set up a separate OVP channel for this
5. the OPUS Reference Manual The correlation mode determines whether a data integrity check is performed during data acquisition Depending on the spectrometer type OPUS provides different correlation modes Spectrometer Type Mode Definition AQP instruments No No data check Around Peak Low This mode is only available if several scans are aver aged Each new interferogram is compared to the first one within a range around the centerburst If the devia tion exceeds the threshold the interferogram will be rejected Otherwise the interferogram will be used for averaging Around Peak High Same as Around Peak Low but the limit is more sensi tive to minor changes e g caused by thermal drift in case of long term measurements AQP instruments with Raman Full Igram Length All interferogram data points are compared to each other An interferogram is rejected 1f the points contain more than 10 defective areas or if the number of defec tive points exceeds one eighth of the total number of interferogram points TENSOR MATRIX MPA OFF No data check VERTEX IFS 125HR i i ADC FS Full The complete scan is rejected if the inteferogram Scale amplitude is greater than 80 If this mode is acti vated acquisition and co addition of overloaded sig nals is avoided Vel Velocity Rejects all scans which velocity deviation is greater than the specified limit during data acquisition The default de
6. type of accessory As soon as you measure the laser wavenumber the name of the accessory selected in OVP will be used and replaced by this name in the optics Thus the accessory is also displayed in the measurement dialog even if AAR is not activated If you perform a measurement by using this type of accessory the test channel will also be automatically recognized and the correct laser wavenumber used Note This feature is only activated for Sample Compartment measurement chan nels In case of an external channel e g External Port the sample compartment accessory currently inserted for this measurement channel will not be taken into account 12 Supplement for OPUS 6 Bruker Optik GmbH Special case ATR Several Crystals 2 Special case ATR Several Crystals In case of ATR accessories with changeable crystals neither the optics nor OVP recognizes what type of crystal is currently used This requires a separate OVP test channel to be set up for every possible kind of crystal Select General Type ATR Several Crystals from the Accessory drop down list in OVP for each one of these test channels AS onfiguration Sample Compartment RT DLaTGS y General Type ATR several crystals Accessory Tila far mii amakim iras Figure 11 Setup OVP General Type ATR several crystals Consequently the same configuration exists several times in OVP In case of several identical configurations OVP always uses t
7. will be stored as a parameter This means that the measurement using this experiment can only be performed by inserting the correct accessory If you load an experiment which uses an accessory not currently inserted into the sample compartment the drop down list field in the measurement dialog is marked red In this case no measurement can be performed Bruker Optik GmbH Supplement for OPUS 6 9 Accessories in Measurement Dialog and OVP 2 2 Accessories in OVP If you have selected any accessory in OVP A in figure 8 the measurement configuration i e the combination of source beamsplitter measurement channel and detector will be extended by this accessory B a x A OYP Test Channel Setup DVP Test Setup Current Test Channel IB MIS ample Comparmtment r Test Channel Configuration Source MR mel Beamsplitter kr 0 0 0 00 Measurement Channel Sample Compartment vr ae Detector JATDLaTGS ntem EF Accessory ID ATR accessory with crystal 2 031C2FA4 Make sure the measurement channel is prepared for the LWN Measure x calibration before you start the measurement LWN a cook Sample Compartment RT DLaTGS y Accessory General Type ATR several crystals Title for new configuration Load Image Add new configuration Clear current Configuration Figure 8 Setup OVP In this case make sure that you measure the laser wavenumber with the accesso
8. xpm Accessory ready Measured S N 690 858000 Minimum S N 300 Setup Cancel Help Figure 12 AAR test result OK 16 Supplement for OPUS 6 Bruker Optik GmbH Rapid Scan Measurement Y Accessory recognized ATR accessory with crystal 1 Ge X AAR test performed Failed Your accessory test failed Please check if your accessory is perfectly installed Measured S N 61 187000 check if your accessory is clean Minimum S N 300 check if your instrument test is ok Setup Cancel Help Figure 13 AAR test result not OK 3 3 Rapid Scan Measurement Note Refers to chapter 7 4 in the OPUS Reference Manual The Rapid Scan measurement parameters described in chapter 7 4 do not apply to MATRIX and MPA spectrometers The description in the OPUS Reference Manual refers to AQP instruments In case of TENSOR and VERTEX spectrometer series the parameters have to be adapted individually For further information on typically used measurement parameters in case of TENSOR and VERTEX series refer to the separate documentation which can be provided on request Bruker Optik GmbH Supplement for OPUS 6 17 Up dated Information 3 4 Interleaved Time Resolved Measurement Note Refers to chapter 7 5 in the OPUS Reference Manual The Interleaved Time Resolved measurement parameters described in chapter 7 5 apply to the IFS 66 v S and IFS 120HR spectrometers only 3 5 Step Scan Measurement The Step Scan meas
9. ality control when using TENSOR 27 and MPA spectrometers To switch off this mode you need to have Administrator rights in OPUS If you work in this mode specific parameters are pre defined and interferograms will automatically be stored The Bruker standard experiments have been adapted to this mode 1 1 Installation When installing OPUS follow the on screen instructions Make sure that you select the correct instrument for quality control Depending on the instrument used either select TENSOR 27 for quality control or MPA OPUS InstallShield Wizard x Select Features Select the features to be installed Select the features you want to install and deselect the features you do not want to install IFS 66 Description IFS120 IFS 125 IRcube MATRIX E MATRIX F MATRIXA MATRIX M External Focus MATRIX TANDEM TENSOR 27 for extended applications TENSOR 37 CJ VECTOR 22 702 60 MB of space required on the C drive 1882 44 MB of space available on the C drive Cancel Figure 1 Selecting instrument type during OPUS installation For further details on the installation procedure refer to the OPUS Installation Instructions If the installation has been finished start OPUS Bruker Optik GmbH Supplement for OPUS 6 3 Easy Measurement Mode 1 2 Routine Workspace When working in the Easy Measurement mode the respective routine measur
10. e a x H Basic Fl Advanced Optic Display Check Signal A Accessory m Current ATR accessory with crystal 2 8031C2FA4 Transmission holder 08175607 ATR accessory with crystal 1 031C2FA4 Exit Cancel Help Figure 5 Measurement Optic tab 1 3 Switching off Mode The Easy Measurement mode can only be switched off by the Administrator Select the Optic Setup and Service command from the Measure menu and click on the Devices Options tab 6 Supplement for OPUS 6 Bruker Optik GmbH Switching off Mode Optic Setup and Service x Optical Bench Devices Options Interterometer AQP Export Options Service Optic Communication Control Panel IV Source Setup IV Use login operator name Beamsplitter Setup IV Enforce Predefined Measurement Parameters IV Optical filter Setup IV Automatic Accessory Recognition IV Aperture Setup Gain Switch Gain Iris aperture Multiplexed data Polarizer Setup IV Wait for devices ready Setup IV Channel Setup IV PLL Laser Multiply Sample changer Setup IV User signals IV Detector Setup J AGP with Digital Filters IV Preamplifier gain Setup IV Ext synchronisation Sonde Setup IV Velocity Setup Mapping device Setup IV High Pass Filter Setup Transient recorder Setup Prep dud IV Low Pass Filter Setup Imaging device Setup PEELE Correlation mode Setup ee Setup Result Spectrum Save Settings Cancel Help Figur
11. e 6 Optic Setup and Service Devices Options tab The Enforced Pre defined Measurement Parameter check box is automatically activated if OPUS is installed for the first time to perform measurements by using MPA or TENSOR To deactivate the mode remove the check mark Bruker Optik GmbH Supplement for OPUS 6 F Easy Measurement Mode 8 Supplement for OPUS 6 Bruker Optik GmbH Accessories in Measurement Dialog Accessories in Measure ment Dialog and OVP Note Refers to chapter 13 in the OPUS Reference Manual The following describes the QuickLock accessory recognition in OVP This kind of feature is available for TENSOR and VERTEX spectrometer series only 2 1 Accessories in Measurement Dialog If you select the Advanced Measurement command to open the measurement dialog a drop down list is displayed on the Optics tab which includes all accessories registered for the respective spectrometer Note For information on how to register accessories by Automatic Accessory Recognition AAR refer to the OPUS AAR manual Measurement Basic Advanced Optic Display Check Signal Accessory n Transmission holder 08175607 ATR accessory with crystal 2 H031C2FA4 Figure 7 Measurement Accessory list The accessory currently inserted into the spectrometer is also shown to the right of the drop down list see figure 5 If you store a measurement experiment the accessory selected from the drop down list
12. ement workspace opens by default The workspace is defined as MIR Routine Quali ows in case of TENSOR NIR Routine ows in case of MPA The Measure menu as well as all the other OPUS menus e g Manipulate or Evaluate include only those commands which are required for routine measurement Figure 2 exemplifies the Measure menu ny ip Advanced Measurement ay Repeated Measurements Figure 2 Measure menu in Easy Measure mode To perform a measurement select the Advanced Measurement command from the Measure menu The following dialog opens Measurement Basic Advanced Optic Display Check Signal Experiment Load Tensor_Easy lt PM Operator name Pew Sample name Fe Sample form soia Probe Path AMEAS File name Fibre Background Single Channel Sample Single Channel Exit Cancel Help Figure 3 Measurement Basic tab Supplement for OPUS 6 Bruker Optik GmbH Routine Workspace The DEFAULT measurement experiment with parameters specified by Bruker is automatically loaded Click on the Load button if you want to load a different experiment If the parameters defined for a user specific experiment differ from the parameters specified by Bruker the following error message pops up lll Parameters differ from experiment sal X gt Parameters differ from experiment PHR 32 000000 AJ Attention You are working in the so called routine measurement mode In this mode releva
13. he laser wavenumber of the first configuration found Tests have shown that the crystal type has an insignificant influence if at all on the laser wavenumber Due to the different optical characteristics of crystals you have to measure reference spectra for each crystal separately to run PQ tests 2 6 Special case HYPERION As Hyperion is no QuickLock accessory it cannot be recognized by the spectrometer optics To ensure an OVP accessory assignment OVP writes accessory information into the optics as soon as the laser wavenumber has been measured for a Hyperion configuration The following kind of information is written into the optics Type of accessory HYPERION e Accessory ID HYPERIOI_ xx with being xx IT Channel No 01 02 03 e Name of accessory as indicated in the OVP accessory list e g Hyperion 1000 2000 ATR Objective e Accessory location 0x0 Hyperion configurations are also displayed in the Accessory drop down list of the measurement dialog They are recognized by OVP and assigned to the correct test channel This ensures that the correct laser wavenumber is used when a measurement is performed Bruker Optik GmbH Supplement for OPUS 6 13 Accessories in Measurement Dialog and OVP 14 Supplement for OPUS 6 Bruker Optik GmbH Correlation Modes Up dated Information This chapter includes up dated information on existing OPUS commands 3 4 Correlation Modes Note Refers to chapter 7 2 5 in
14. nt parameters are predefined and locked by BRUKER If you want to use your own settings you need to contact the administrator to switch off the routine measurement mode This is done in Optic Setup And Service gt gt Devices Options and deselect Enforce predefined measurement parameters If you wish to use the recommended parameters you need to save this experiment a backup of the old experiment will be provided Note storing may cause incompatibility with previously created IDENT or QUANT methods 4 signed experiment needs to be signed again after saving Save experiment with the new parameters generally recommended by Bruker Yes No Figure 4 Error message This may occur in case of loading existing experiments in the Easy Measurement mode Measurements using non conforming parameters are not possible by default Note Before storing the experiment file with the new parameters a backup is made of the original file xpm bak If you work in validated mode you have to sign the experiment once again after the experiment file has been stored On the Optics tab all registered accessories are displayed only in case of TENSOR Select the appropriate accessory from the drop down list A in figure 5 If the accessory currently inserted has already been registered the name of the this accessory is also displayed B in figure 5 in the measurement dialog Bruker Optik GmbH Supplement for OPUS 6 5 Easy Measurement Mod
15. ry being inserted The measurement will then recognize the correct test channel and thus the correct laser wavenumber depending on the accessory being inserted 10 Supplement for OPUS 6 Bruker Optik GmbH Inserting accessory with activated AAR 2 3 Inserting accessory with activated AAR Inserting a QuickLock accessory for the first time enables the firmware to recognize that any accessory exists in the sample compartment The firmware however cannot recognize the type of accessory and writes a question mark as type of accessory If the Automatic Accessory Recognition AAR is activated by means of the Optic Setup and Service command from the Measure menu OPUS recognizes that an unknown type of accessory is in the sample compartment Use AAR to exactly define the name and type of the accessory Note AAR only runs if you first have defined a test channel in OVP for the sam ple compartment Otherwise an error message pops up in AAR Afterwards AAR sets up a second test channel for the respective accessory type When inserting the accessory AAR starts and tries to recognize the type of accessory by means of a measurement In case of a non registered accessory AAR provides a drop down list which you use to select a general accessory type or an accessory which has already been registered in the OVP database If you have activated the Accessory has to be tested check box figure 9 an OVP test channel is automatically set up for this
16. urement parameters available in OPUS do not apply to TENSOR MATRIX MPA and IFS 125HR spectrometers The description in the OPUS Step Scan manual refers to EQUINOX 55 and IFS 66 v S In case of VERTEX spectrometer series the parameters have to be adapted individually For further information on typically used measurement parameters in case of VERTEX refer to the separate documentation which can be provided on request 3 6 ATR Correction Note Refers to chapter 8 24 2 in the OPUS Reference Manual Load the spectra measured by an ATR unit into the OPUS browser Make sure that the spectrum contains no ranges with strong noise Otherwise use the Cut or the Straight Line Generation command from the Manipulate menu to modify these ranges As the extended ATR correction is sensitive to noise wrong results may be produced 3 7 Spectrum Search Note Refers to chapter 9 11 in the OPUS Reference Manual and 2 3 1 in the OPUS SEARCH manual The following search algorithms which can be selected from the drop down list on the Search Parameters tab are available in OPUS 18 Supplement for OPUS 6 Bruker Optik GmbH Spectrum Search Spectrum Search xi Spectrum Search Search Parameters Excluded Regions Select Libraries Search Library Cancel Help Search algorithm Standard o One main component Minimum hit quality 300 C Multiple components Maximum number of hits f r The spectrum to be searched for contains
17. vated AAR ooooocccocoocoococccco o 11 2 4 Inserting accessory without activated AAR lsleseeeeesss 12 2 5 Special case ATR Several Crystals i424 usd ua ER REA 13 2 6 Special case HYPERION 42 olas Eee HR VER Ge ES E Ri 13 3 Up dated Information as IAS EE ES E OPE Po s 15 3 1 Correlation Modest dd be S WEN eee 15 3 2 AAR Test Res l 5 ge s AA Cae td ax wee ee dale Borg 16 3 3 Rapid Scan Measurement 44 5 4 408 des ens pet dee PR He REX Rb ug He 17 3 4 Interleaved Time Resolved Measurement 0000s eee eee 18 3 5 Step Scan Measurement 42 9 2 cede AIR PE UC ESAE WA EXE EAR 18 3 6 ATR Correction ac T tea et serm n eu Dl es 18 3 7 Spectrum Search uie oues sco uc vue e aa Er ose Pesto ated 18 iii iv Introduction This supplement comprises new features designed for the OPUS version 6 which have not yet been described in the corresponding manuals as well as up dated information on existing OPUS commands New Features Easy Measurement Mode for quality control using MPA and TENSOR 27 only Accessories in measurement and OVP Up dated Information Correlation Modes AAR Test Result Rapid Scan Measurement nterleaved Time Resolved Measurement Step Scan Measurement ATR Correction Spectrum Search Bruker Optik GmbH Supplement for OPUS 6 1 Supplement for OPUS 6 Bruker Optik GmbH Installation Easy Measurement Mode The Easy Measurement mode has been designed for qu
18. viation limit is set to gt 2 and can be cus tomized IFG Length Dif The number of interferogram data points is not identi ference cal to the nominal number This mode should be acti vated in case of non frequent and intense mechanical disturbances to have the scan automatically rejected Bruker Optik GmbH Supplement for OPUS 6 15 Up dated Information Spectrometer Type Mode Definition Signal Amplitude Scans of a particular interferogram amplitude range Limits are used only The range can be customized Start on Signal The measurement starts only if one scan is within the Amplitude Limits defined amplitude limit Thus the measurement is trig gered by intensity Example sample inserted mea surement starts Stop on Signal The measurement stops if a scan is beyond the defined Amplitude Limits amplitude limit Example sample removed measure ment stops Raman Detects Raman spikes in the interferogram and substi tutes them by other scans of the same measurement If more than 10 of the interferogram data points have to be substituted the scan will be rejected 3 2 AAR Test Result The result of the AAR reference tests is also displayed in the AAR dialog Accessory Test al Y Accessory recognized ATR accessory with crystal 1 Ge Y AAR test performed Passed Y Measurement experiment loaded D OPUS Release xpm MIR_ATR_preview

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