[Nmrshiftdb-devel] CVS: nmrshiftdb/src/html nmrshiftdbhelp23.html,1.3,1.4
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steinbeck
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From: Stefan K. <sh...@us...> - 2002-05-31 14:02:27
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Update of /cvsroot/nmrshiftdb/nmrshiftdb/src/html In directory usw-pr-cvs1:/tmp/cvs-serv666/src/html Modified Files: nmrshiftdbhelp23.html Log Message: Added the links to submit and results Index: nmrshiftdbhelp23.html =================================================================== RCS file: /cvsroot/nmrshiftdb/nmrshiftdb/src/html/nmrshiftdbhelp23.html,v retrieving revision 1.3 retrieving revision 1.4 diff -C2 -r1.3 -r1.4 *** nmrshiftdbhelp23.html 29 May 2002 12:17:01 -0000 1.3 --- nmrshiftdbhelp23.html 31 May 2002 14:02:20 -0000 1.4 *************** *** 11,16 **** 7.6,.76<br> The intensities are optional, but need to be in a range from 0 to 1, if you give them explicitly. After you input the spectrum, click the "Submit signals". You can add additional signals later by the same steps.</p> <p>After submitting the signals, you will see an additional area for submitting the assignments. Here you have got one line per atom, showing a drop-down box for the shifts and the expected range for the shift. These predictions are calculated based on1-sphere HOSE codes. Red figures indicate that your value is inside this range, red means outside. Choose a shift for every atom. The atoms are identified by the figures and will be marked when you go over a line. Shifts no assigned will be lost - this is also a way to get rid of mistyped shifts. After you assigned all signals, press the "Submit assignments" button.</p> ! <p>You then need to enter the additional data. Please choose first if the spectrum is measured or calculated. Then enter the chemical names and the CASNumber of the molecule, if known (you do not need to do that if the molecule is already in the database). Choose the spectrum type and enter the conditions.</p> <p>NMRShiftDB stores both experimental and calculated NMR spectra together with their associated molecular structures. The experimental spectra are --- 11,17 ---- 7.6,.76<br> The intensities are optional, but need to be in a range from 0 to 1, if you give them explicitly. After you input the spectrum, click the "Submit signals". You can add additional signals later by the same steps.</p> + <p>Here you also need to choose the spectrum type.<p> <p>After submitting the signals, you will see an additional area for submitting the assignments. Here you have got one line per atom, showing a drop-down box for the shifts and the expected range for the shift. These predictions are calculated based on1-sphere HOSE codes. Red figures indicate that your value is inside this range, red means outside. Choose a shift for every atom. The atoms are identified by the figures and will be marked when you go over a line. Shifts no assigned will be lost - this is also a way to get rid of mistyped shifts. After you assigned all signals, press the "Submit assignments" button.</p> ! <p>You then need to enter the additional data. Please choose first if the spectrum is measured or calculated. Then enter the chemical names, any links to web-literature about the molecule and the CASNumber of the molecule, if known (you do not need to do that if the molecule is already in the database). You can also enter literature and web pages about the spectrum</p> <p>NMRShiftDB stores both experimental and calculated NMR spectra together with their associated molecular structures. The experimental spectra are *************** *** 108,111 **** --- 109,113 ---- </body> </html> + |