Label Printer Pro 7.21d Free Download For Mac

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1. Label Printer Pro 7.21d Free Download For Mac Windows 10

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1 Free Trial of Mnova Software for Processing and Analysis NMR and MS on Your Computer Ohio State University April 2014 Chen Peng, PhD, VP of Business Development, US & China Mestrelab Research SL San Diego, CA, USA 2 Outline Download Mnova for 45 day free trial Opening 1D and 2D NMR data Multiplet Analysis for 1D 1H NMR Generating reports Basic handling of multiple 1D and 2D spectra Visualizing and analyzing LC/MS Note: Only the basic features of Mnova NMR, NMRPredict Desktop and MS are covered in this tutorial. For information about the advanced features of Mnova, see.

3 Download and install Mnova for 45 day free trial Download Mnova Suite from Install it on your computer. Start Mnova, and click Evaluate on the Registration Wizard to start the online registration. (If this dialog does not appear, choose Help Get/Install License) 4 Download and install Mnova for 45 day free trial (2) Click Start a single trial from the webpage, and follow the instructions to get the 45 day free trial license for Mnova NMR, NMRPredict and MS plugins.

You will receive an from Mestrelab and then you will download the trial license files as a zip file. Note: Online registration for free trial works only one time for the same computer. If you had done this before, then please request the trial license by sending the Host ID to.

6 Download and install Mnova for 45 day free trial (4) The installation of Mnova comes with a set of 1D and 2D NMR, LC/MS data, and the structure of quinine for your practice. On Windows, they are typically located at: C: Program Files (x86) mestrelab Research S.L MestReNova examples datasets Drag such folders or files to Mnova to open them as shown on the next slide 7 To open and transform your NMR data Choose File Open to open the fid (or ser) file from the raw data Or drag an fid or ser file from a file browser to Mnova. Mnova automatically processes the spectrum.

Drag & drop.You can drag multiple folders that contain fid (or ser) files to Mnova to open multiple spectra simultaneously, or use Scripts Import Multi-open to open multiple spectra at once.Parameters from the raw data are used for processing. You can control the importing of some parameters (zero filling, phasing, baseline correction etc.) by choosing Edit Preferences NMR Import. You can view or change the processing parameters by choosing Processing Processing Parameters. 8 To display the parameters Choose View Tables Parameters to view the acquisition and processing parameters Click Report to report the parameters as a text box on the spectrum. Use the green handles to move, rotate and resize the text box.

Every object on Mnova can be relocated and resized. 9 If necessary, to correct phase, baseline & reference Click for phase correction if peaks are not symmetric. Click for baseline correction if baseline is not zero.

Click to calibrate the chemical shift reference if the solvent or TMS peak is not at the right ppm.Click the arrow next to the tool icon for options, such as manual phasing and manual baseline correction. 13 To attach 1D to 2D spectra Open 1D and 2D spectra in the same document. They are displayed in separate pages.

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Label Printer Pro 7.21d Free Download For Mac Windows 10

If you don t see the Pages View, choose View I Pages Display a 2D spectrum, drag a 1D from the Pages View to attach it to the 2D Drag & drop Drag & drop To change the Y intensity of the traces: Place the cursor on the trace and scroll the mouse wheel, or click Ctrl+Shift+arrow keys. To move the baseline of a trace: Shift + mouse wheel. To change the space of the attached 1Ds: Double click on the spectrum and open the Properties dialog. 15 Fully automatic multiplet analysis Click to do automatic multiplet analysis.

By default, Mnova does the following automatically: Picks peaks using GSD (if no peaks were picked) and classify their types (compound, solvent, impurity peaks etc.). Note these are controlled by the Peak Picking options Groups the picked peaks into multiplets and fits them to J-coupling patterns, and calculates their integrals (depending on the Multiplet Analysis options).

Note these are controlled by the Multiplet Analysis Options Estimates the total number of nuclides (NN) and normalizes the integrals for each multiplet The number of nuclides (NN) of the multiplet Normalized integral of the multiplet. Total # of nuclides from all the multiplets and the # of protons in the molecule (if present).GSD (Global Spectral Deconvolution): See Help Contents Analysis tools Peak Picking GSD for details. 17 Multiplet Manager Double click on it to show the Multiplet Manager Double click on a multiplet label to open the Multiplet Manager. Use it to inspect and change the properties of the multiplets, including the normalization of the integrals, J-coupling patterns and constants etc. Delete the current multiplet Add/Delete multiplet peaks Navigate to the Previous/Next multiplet The # of protons this multiplet corresponds to.

Changing this number affects only the current multiplet Normalized integral of the multiplet. Changing it affects all mutliplets Integration region of the multiplet Properties of the current multiplet Use this tool to simulate the multiplet Use this tool to measure J constant manually # of protons in the molecule (if present) Absolute integral of the multiplet. 18 Handy tools for multiplet analysis Full View: The whole spectrum and zoom-in area.

Drag the blue box to move to other multiplets. (Choose View Full View to open Full View) Multiplet label: Click on it to set it as the current active one Multiplet bar: Use it to split a multiplet into 2, or to change its range Manual multiplet analysis: Click J, then click and drag to define the range and peak picking threshold for a multiplet. Multiplet Manager shows the properties of the current multiplet picked. (Double click on a multiplet label to open it). 25 To integrate peaks independent of multiplet analysis Click to do auto integration or click I to do it manually Double click on an integral curve to popup Integral Manager:. Note: The results from Integration is independent of those from the Multiplet Integration. Use Integration Options to change the method and other parameters.

Type a Normalized value to normalize the integrals Browse, delete, change, split integrals interactively if needed Click and drag the left green box to change the range of the integral 26 Why are the integrals from multiplet analysis different from regular integration? When the peaks have irregular shapes, GSD-based multiplet analysis may give significantly different integration results than regular (sum-based) integration. In the example below, GSD-based multiplet analysis extracts the regular peaks but ignores the irregular ones due to exchangeable protons and enantiomers. GSD-based multiplet analysis 27 Why are the integrals from multiplet analysis different from regular integration (2)?

When you do regular (sum-based) integration, all peaks are included: Sum-based integration 28 To force to report the regular integration results in multiplet analysis If you do regular integration first, and then apply auto multiplet analysis, the regular results will be retained: Sum-based integration plus multiplet analysis. 29 To predict NMR from a structure. Open a new document (File New) or a new page (Edit Create New Page) Copy a structure from ChemDraw, Isis/Draw or ChemSketch, and paste to Mnova, or open a.mol.cdx or a.sdf file Choose an command from the Predict menu Tips: 1. Choose Molecules Prediction Options to change settings 2. You can turn on/off the atom numbers by right-clicking on the structure and choose Properties. You can open the Prediction Table to list the predicted shifts and J-couplings, and manually change them. A separate license of Mnova NMRPredict Desktop is needed.

30 To predict NMR & verify your structure Open your 1 H (or 13 C) spectrum in a new page Copy your structure from ChemDraw or Isis/Draw Choose Analysis Predict & Compare. The predicted spectrum is stacked with the experimental one for visual comparison You can drag the label of a predicted peak to change its chemical shift. You can also change the predicted J- couplings in the 1H Prediction Table. 31 To assign a multiplet to an atom Click A key (or choose Analysis Manual Assignment) to enter Manual Assignment mode. In Manual Assignment mode, first click the atom to assign Next click on the multiplet label to assign it to the atom Assignment label is displayed Tip: After the assignment, the atom label is changed to green. The multiplet label shows the atom label.

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The multiplet label can be turned off by unchecking Analysis Multiplet Analysis Show Multiplets. 32 To predict NMR & help you assign peaks Open your 1 H (or 13 C) spectrum in a new page, do multiplet analysis or peak picking as usual Copy your structure from ChemDraw or Isis/Draw Choose Analysis Predict & Compare. The predicted spectrum is stacked with the experimental one for visual comparison Switch to Superimposed Mode so you can assign the multiplets/peaks guided by the predicted peaks: Use Shift + Up Arrow key to change the active spectrum and see the multiplet labels and predicted peak labels. In Assignment mode, click on a multiplet label and then an atom to make the assignment. Blue: predicted peaks Red: observed peaks 33 Automatic assignment of 1H spectrum.

Open your 1 H spectrum in a new page, copy your structure from ChemDraw or Isis/Draw Choose Analysis Automatic Assignment. Mnova does multiplet analysis (if not done yet), predicts H-1 spectrum, and automatically assigns H-1 peaks.A separate license of Mnova NMRPredict Desktop is needed in addition to Mnova NMR. Tip: you can do multiplet analysis and clean them up prior to auto assignment.

Also, try Mnova Verify that automatically verifies your proposed structures ( 34 To display and browse assignment results Choose View Tables Assignments to open the Assignments Table The Table and the structure are correlated: You can click a row to highlight the atom (and its assigned peak), and vice versa. You can right click on an atom and choose Edit Atom Data to change its label. Changed labels will be used in Assignments Table and other relevant reports. 35 If you have 2D HSQC You can first assign 1D H-1 peaks, and then assign HSQC cross peaks, or vice versa Assignments in one spectrum is carried over to all other spectra in the same document: All spectra in the same document are correlated by default To assign in HSQC, click A key to enter Assignment mode. Click on an atom in the structure.

Next click on the cross peak to assign to it. H-1 assignments from 1D spectrum or HSQC C-13 assignments from HSQC.By Default, Mnova automatically snaps to a peak top (with interpolation).

Click Shift key one time to toggle it off if you want to manually locate the peak center. 36 To annotate and report manually Click the Annotation Options button at the bottom-left corner of Mnova window and use the annotation tools there The display of the objects can be customized by right clicking on it and then selecting Properties Tables of Peaks, Integrals, Parameters etc. Can be opened by View Tables.