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Frequently Asked Questions |
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| Q: |
In your demonstration CD ROM the ACD/CNMR and ACD/HNMR programs
don't allow me to predict spectra for structures with more than 20 carbon
or hydrogen nuclei. Is this a limitation of your algorithms?
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| A: |
This limitation does not exist in the full working versions; you
can actually draw structures with up to 255 heavy atoms and obtain
predicted spectra. The ACD/Labs demo is designed to give the potential user a
good feel for the functionality of our programs; we do this by providing
you with the actual software only with a few minor limitations. We feel
that a simple promotional "slide show" CD ROM as offered by many other
software companies doesn't provide enough information for someone to make
an effective evaluation.
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| Q: |
How large can I make my SpecManager database?
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| A: |
Number restriction for records in an NDB file: 524,000 records.
Each of these records can contain about 12,000 spectra
corresponding to different techniques and conditions.
Number restriction for user-defined data fields: 16,000 names.
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| Q: |
Can I make my SpecManager SQL database even larger?
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| A: |
Number restriction for records in an NDB file: 2,147,483,647 records.
Each of these records can contain 2,147,483,647 spectra
corresponding to different techniques and conditions.
Number restriction for user-defined data fields: 16,000 names.
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| Q: |
Can I generate the IUPAC name for cholesterol using Name freeware?
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| A: |
No, because Name freeware has a limitation of 50 atoms and 3 rings. To name larger structures, please use ACD/Name.
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| Q: |
How is the peak width of a predicted peak calculated in ChromGenius? |
| A: |
If there are no experimental peaks in the ChromGenius database with a defined width, then the width is calculated according to the following formula:
Width = 4 * (tR(calc)/PlateNumber2)
If there are up to 3 peaks found in the database with defined experimental widths, then the width of the predicted peak is calculated as a mean from these experimental widths.
However, if there are more then 3 peaks found in the database with experimental widths, then the width of the predicted peak is calculated on the basis of that experimental data.
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Further questions?
| Do you have a question that has not been covered on this page or on our web site?
If you have a question regarding any aspect of ACD/Labs software,
please e-mail us and we will do our best to answer it.
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This page was last updated
20 November 2006
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