Simultaneous 13C,15N-resolved NOESY - Revision history

Aringh at 15:51, 15 December 2009

2009-12-15T15:51:23Z

← Older revision		Revision as of 15:51, 15 December 2009
Line 20:		Line 20:

	*sw2N is the spectral width for 15N. Should be different from sw2 (13C)		*sw2N is the spectral width for 15N. Should be different from sw2 (13C)
	*13C/15N t1 initial evolution is half-dwell only. The program will abort if <tt>f2180</tt> is not set to <tt>'y'</tt>. For testing purposes the ~~intial~~ evolution delay is set to a minimum if <tt>ni2=0</tt>.		*13C/15N t1 initial evolution is half-dwell only. The program will abort if <tt>f2180</tt> is not set to <tt>'y'</tt>. For testing purposes the initial evolution delay is set to a minimum if <tt>ni2=0</tt>.
	*Only adiabatic 13C inversion pulses are used. You can choose either <tt>stC140</tt> or <tt>stC200</tt>. Composite inversion pulses are disabled.		*Only adiabatic 13C inversion pulses are used. You can choose either <tt>stC140</tt> or <tt>stC200</tt>. Composite inversion pulses are disabled.
	*Simultaneous high power pulses on 13C and 15N are avoided, therefore, peak power can be used.		*Simultaneous high power pulses on 13C and 15N are avoided, therefore, peak power can be used.

Aringh at 20:39, 14 December 2009

2009-12-14T20:39:32Z

← Older revision		Revision as of 20:39, 14 December 2009
Line 1:		Line 1:
	== Simultaneous 15N-, 13C(ali)-, 13C(aro)-resolved [1H,1H] NOESY ==		== Simultaneous 15N-, 13C(ali)-, 13C(aro)-resolved [1H,1H] NOESY ==

	Modified from BioPack <tt>gnoesyCNhsqc.c</tt> by Main.AlexEletski, similar to the previous <tt>cnnoesy.c</tt> sequences by Youlin Xia and H. Atreya.		Modified from BioPack <tt>gnoesyCNhsqc.c</tt> by Main.AlexEletski, similar to the previous <tt>cnnoesy.c</tt> sequences by Youlin Xia and H. Atreya.

	Requires pre-installed BioPack. BioPack power limits should be enabled on systems with cryogenic probes, otherwise wurst140 decoupling power is too high.		Requires pre-installed BioPack. BioPack power limits should be enabled on systems with cryogenic probes, otherwise wurst140 decoupling power is too high.

	Make sure that 13C wurst decoupling power is 1 dB lower than the max rated decoupling power for the probe (wurst shape average is 80% of the max). 15N garp decoupling power must be 3 dB lower than the max rating.		Make sure that 13C wurst decoupling power is 1 dB lower than the max rated decoupling power for the probe (wurst shape average is 80% of the max). 15N garp decoupling power must be 3 dB lower than the max rating.

	* [[NESG:%ATTACHURL%/gnoesyCaliCaroNhsqc.tar\|gnoesyCaliCaroNhsqc.tar]]: simNOESY package - tested with VnmrJ 2.1B		*[[NESG:%ATTACHURL%/gnoesyCaliCaroNhsqc.tar\|gnoesyCaliCaroNhsqc.tar]]: simNOESY package - tested with VnmrJ 2.1B

			<br> Contents:

	~~Contents:~~		*vnmrsys/psglib/gnoesyCaliCaroNhsqc.c
	* vnmrsys/psglib/gnoesyCaliCaroNhsqc.c		*vnmrsys/parlib/gnoesyCaliCaroNhsqc.par/
	* vnmrsys/parlib/gnoesyCaliCaroNhsqc.par/		*vnmrsys/manual/gnoesyCaliCaroNhsqc
	* vnmrsys/manual/gnoesyCaliCaroNhsqc		*vnmrsys/templates/layout/gnoesyCaliCaroNhsqc/
	* vnmrsys/templates/layout/gnoesyCaliCaroNhsqc/		*vnmrsys/maclib/gnoesyCaliCaroNhsqc
	* vnmrsys/maclib/gnoesyCaliCaroNhsqc

	Changes as compared to <tt>gnoesyCNhsqc</tt> and <tt>cnnoesy</tt>:		Changes as compared to <tt>gnoesyCNhsqc</tt> and <tt>cnnoesy</tt>:
	* sw2N is the spectral width for 15N. Should be different from sw2 (13C)
	* 13C/15N t1 initial evolution is half-dwell only. The program will abort if <tt>f2180</tt> is not set to <tt>'y'</tt>. For testing purposes the intial evolution delay is set to a minimum if <tt>ni2=0</tt>.
	* Only adiabatic 13C inversion pulses are used. You can choose either <tt>stC140</tt> or <tt>stC200</tt>. Composite inversion pulses are disabled.
	* Simultaneous high power pulses on 13C and 15N are avoided, therefore, peak power can be used.
	* Indirect 1H evolution modified to get correct initial points. Backward linear prediction is no longer required.
	* 15N inversion pulse changed to 90-180-90 composite. This should improve broadband performance at high fields, increasing the intensity of HE/NE strips of Arg, for example.
	* <tt>jnh</tt> parameter is introduced for 1J_NH coupling constant. The INEPT delays are now determined by <tt>jnh</tt> instead of <tt>jch</tt>.
	* <tt>jch</tt> is used to shift the 13C invesion pulses. The typical values are <tt>jnh=110 jch=155</tt>.
	* Added a <tt>flipN</tt> flag. Setting <tt>flipN='y'</tt> will invert the sign of 15N peaks.
	* Phase cycling is optimized for better axial peak and water suppression.
	* SEDUCE decoupling on carbonyls is not used, since it yield only small sensitivity gains while leading to significant resonance shifts.

	~~Installation:~~		*sw2N is the spectral width for 15N. Should be different from sw2 (13C)
	* ~~Save~~ the <tt>~~gnoesyCaliCaroNhsqc.tar~~</tt> ~~file into VnmrJ user home directory (e~~.g. <tt>/~~home/vnmr1~~</tt>).		*13C/15N t1 initial evolution is half-dwell only. The program will abort if <tt>f2180</tt> is not set to <tt>'y'</tt>. For testing purposes the intial evolution delay is set to a minimum if <tt>ni2=0</tt>.
	* ~~Extract with~~ <tt>~~tar xvf gnoesyCaliCaroNhsqc~~.~~tar~~</tt> ~~- existing files will be overwritten!~~		*Only adiabatic 13C inversion pulses are used. You can choose either <tt>stC140</tt> or <tt>stC200</tt>. Composite inversion pulses are disabled.
	* <tt>cd</tt> to <tt>~~~/vnmrsys/psglib~~/</tt> ~~directory and compile the pulse program by typing~~ <tt>~~seqgen gnoesyCaliCaroNhsqc.c~~</tt>		*Simultaneous high power pulses on 13C and 15N are avoided, therefore, peak power can be used.
			*Indirect 1H evolution modified to get correct initial points. Backward linear prediction is no longer required.
			*15N inversion pulse changed to 90-180-90 composite. This should improve broadband performance at high fields, increasing the intensity of HE/NE strips of Arg, for example.
			*<tt>jnh</tt> parameter is introduced for 1J_NH coupling constant. The INEPT delays are now determined by <tt>jnh</tt> instead of <tt>jch</tt>.
			*<tt>jch</tt> is used to shift the 13C inversion pulses. The typical values are <tt>jnh=110 jch=155</tt>.
			*Added a <tt>flipN</tt> flag. Setting <tt>flipN='y'</tt> will invert the sign of 15N peaks.
			*Phase cycling is optimized for better axial peak and water suppression.
			*SEDUCE decoupling on carbonyls is not used, since it yield only small sensitivity gains while leading to significant resonance shifts.

	~~Usage~~:		Installation:
	* In VnmrJ run <tt>gnoesyCaliCaroNhsqc</tt> script to setup experiment
	* Record a 2D H-C/N plane first and optimize <tt>sw2</tt>, <tt>sw2N</tt>, <tt>dof</tt> and <tt>dof2</tt>, if necessary. Run <tt>calfa</tt> to find the optimal <tt>rof2</tt> and <tt>alfa</tt>, acheiving zero first-order phase correction.
	* Set the desired mixing time, <tt>mix</tt>.
	* Use at least <tt>nt=4</tt> for 3D acquisition, for best results use <tt>nt=8</tt>. The first two-step phase cycle suppresses axial peaks in the 13C/15N dimension, which is needed since 13C dimension is usually folded 3 times. The second two-step phase cycle suppresses axial peaks in the indirect 1H dimension. The third two-step phase cycle provides additional water suppression.

			*Save the <tt>gnoesyCaliCaroNhsqc.tar</tt> file into VnmrJ user home directory (e.g. <tt>/home/vnmr1</tt>).
			*Extract with <tt>tar xvf gnoesyCaliCaroNhsqc.tar</tt> - existing files will be overwritten!
			*<tt>cd</tt> to <tt>~/vnmrsys/psglib/</tt> directory and compile the pulse program by typing <tt>seqgen gnoesyCaliCaroNhsqc.c</tt>

			Usage:

			*In VnmrJ run <tt>gnoesyCaliCaroNhsqc</tt> script to setup experiment
			*Record a 2D H-C/N plane first and optimize <tt>sw2</tt>, <tt>sw2N</tt>, <tt>dof</tt> and <tt>dof2</tt>, if necessary. Run <tt>calfa</tt> to find the optimal <tt>rof2</tt> and <tt>alfa</tt>, acheiving zero first-order phase correction.
			*Set the desired mixing time, <tt>mix</tt>.
			*Use at least <tt>nt=4</tt> for 3D acquisition, for best results use <tt>nt=8</tt>. The first two-step phase cycle suppresses axial peaks in the 13C/15N dimension, which is needed since 13C dimension is usually folded 3 times. The second two-step phase cycle suppresses axial peaks in the indirect 1H dimension. The third two-step phase cycle provides additional water suppression.

			<br>

	-- Main.AlexEletski - 26 Oct 2007		-- Main.AlexEletski - 26 Oct 2007

Alex: moved NESG:SimNOESY to Simultaneous 13C,15N-resolved NOESY

2009-11-30T16:11:51Z

moved NESG:SimNOESY to Simultaneous 13C,15N-resolved NOESY

← Older revision	Revision as of 16:11, 30 November 2009
(No difference)

Admin: Created page with '== Simultaneous 15N-, 13C(ali)-, 13C(aro)-resolved [1H,1H] NOESY == Modified from BioPack `gnoesyCNhsqc.c` by Main.AlexEletski, similar to the previous `cnnoesy.c`…'

2009-10-08T15:19:12Z

Created page with '== Simultaneous 15N-, 13C(ali)-, 13C(aro)-resolved [1H,1H] NOESY == Modified from BioPack <tt>gnoesyCNhsqc.c</tt> by Main.AlexEletski, similar to the previous <tt>cnnoesy.c</tt>…'

New page

== Simultaneous 15N-, 13C(ali)-, 13C(aro)-resolved [1H,1H] NOESY ==

Modified from BioPack <tt>gnoesyCNhsqc.c</tt> by Main.AlexEletski, similar to the previous <tt>cnnoesy.c</tt> sequences by Youlin Xia and H. Atreya.

Requires pre-installed BioPack. BioPack power limits should be enabled on systems with cryogenic probes, otherwise wurst140 decoupling power is too high.

Make sure that 13C wurst decoupling power is 1 dB lower than the max rated decoupling power for the probe (wurst shape average is 80% of the max). 15N garp decoupling power must be 3 dB lower than the max rating.

* [[NESG:%ATTACHURL%/gnoesyCaliCaroNhsqc.tar|gnoesyCaliCaroNhsqc.tar]]: simNOESY package - tested with VnmrJ 2.1B

Contents:
* vnmrsys/psglib/gnoesyCaliCaroNhsqc.c
* vnmrsys/parlib/gnoesyCaliCaroNhsqc.par/
* vnmrsys/manual/gnoesyCaliCaroNhsqc
* vnmrsys/templates/layout/gnoesyCaliCaroNhsqc/
* vnmrsys/maclib/gnoesyCaliCaroNhsqc

Changes as compared to <tt>gnoesyCNhsqc</tt> and <tt>cnnoesy</tt>:
* sw2N is the spectral width for 15N. Should be different from sw2 (13C)
* 13C/15N t1 initial evolution is half-dwell only. The program will abort if <tt>f2180</tt> is not set to <tt>'y'</tt>. For testing purposes the intial evolution delay is set to a minimum if <tt>ni2=0</tt>.
* Only adiabatic 13C inversion pulses are used. You can choose either <tt>stC140</tt> or <tt>stC200</tt>. Composite inversion pulses are disabled.
* Simultaneous high power pulses on 13C and 15N are avoided, therefore, peak power can be used.
* Indirect 1H evolution modified to get correct initial points. Backward linear prediction is no longer required.
* 15N inversion pulse changed to 90-180-90 composite. This should improve broadband performance at high fields, increasing the intensity of HE/NE strips of Arg, for example.
* <tt>jnh</tt> parameter is introduced for 1J_NH coupling constant. The INEPT delays are now determined by <tt>jnh</tt> instead of <tt>jch</tt>.
* <tt>jch</tt> is used to shift the 13C invesion pulses. The typical values are <tt>jnh=110 jch=155</tt>.
* Added a <tt>flipN</tt> flag. Setting <tt>flipN='y'</tt> will invert the sign of 15N peaks.
* Phase cycling is optimized for better axial peak and water suppression.
* SEDUCE decoupling on carbonyls is not used, since it yield only small sensitivity gains while leading to significant resonance shifts.

Installation:
* Save the <tt>gnoesyCaliCaroNhsqc.tar</tt> file into VnmrJ user home directory (e.g. <tt>/home/vnmr1</tt>).
* Extract with <tt>tar xvf gnoesyCaliCaroNhsqc.tar</tt> - existing files will be overwritten!
* <tt>cd</tt> to <tt>~/vnmrsys/psglib/</tt> directory and compile the pulse program by typing <tt>seqgen gnoesyCaliCaroNhsqc.c</tt>

Usage:
* In VnmrJ run <tt>gnoesyCaliCaroNhsqc</tt> script to setup experiment
* Record a 2D H-C/N plane first and optimize <tt>sw2</tt>, <tt>sw2N</tt>, <tt>dof</tt> and <tt>dof2</tt>, if necessary. Run <tt>calfa</tt> to find the optimal <tt>rof2</tt> and <tt>alfa</tt>, acheiving zero first-order phase correction.
* Set the desired mixing time, <tt>mix</tt>.
* Use at least <tt>nt=4</tt> for 3D acquisition, for best results use <tt>nt=8</tt>. The first two-step phase cycle suppresses axial peaks in the 13C/15N dimension, which is needed since 13C dimension is usually folded 3 times. The second two-step phase cycle suppresses axial peaks in the indirect 1H dimension. The third two-step phase cycle provides additional water suppression.

-- Main.AlexEletski - 26 Oct 2007

Simultaneous 13C,15N-resolved NOESY - Revision history

Aringh at 15:51, 15 December 2009

Aringh at 20:39, 14 December 2009

Alex: moved NESG:SimNOESY to Simultaneous 13C,15N-resolved NOESY

Admin: Created page with '== Simultaneous 15N-, 13C(ali)-, 13C(aro)-resolved [1H,1H] NOESY == Modified from BioPack gnoesyCNhsqc.c by Main.AlexEletski, similar to the previous cnnoesy.c…'

Admin: Created page with '== Simultaneous 15N-, 13C(ali)-, 13C(aro)-resolved [1H,1H] NOESY == Modified from BioPack `gnoesyCNhsqc.c` by Main.AlexEletski, similar to the previous `cnnoesy.c`…'