CYANA Command: enoe init - Revision history

Dean: /* Description */

2019-09-11T14:58:52Z

Description

← Older revision		Revision as of 16:58, 11 September 2019
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	The diagonal peak to use for normalization is specified by the parameter '''normalize'''; using the normalize=1 or normalize=2, with the integers referring to the proton dimension in the peak list.		The diagonal peak to use for normalization is specified by the parameter '''normalize'''; using the normalize=1 or normalize=2, with the integers referring to the proton dimension in the peak list.
	The parameter '''normed''' specifies, if one wants to keep non-normalizable peaks (normed=0) or only peaks that are properly normalized (normed=1).		The parameter '''normed''' specifies, if one wants to keep non-normalizable peaks (normed=0) or only peaks that are properly normalized (normed=1).

	~~In practice, many diagonal peak decays cannot be fitted (due to spectral overlap, artifacts, etc.):~~
	~~The parameter '''rhoavg''' allows the input of an average auto-relaxation values to be used non specifically [s-1].~~

	A spin-type specific value may be calculated to be read in a file containing spin type specific auto-relaxation values, the same file may be used to read spin-type specific I(0) values, see * [[CYANA Command: read rho\|read rho]].		A spin-type specific value may be calculated to be read in a file containing spin type specific auto-relaxation values, the same file may be used to read spin-type specific I(0) values, see * [[CYANA Command: read rho\|read rho]].

	The parameter '''time''' specifies the measured NOE mixing times in ascending order [s]. The NOE mixing times are given as a coma separated list, i.e. time=0.02,0.03,0.04,0.05.		The parameter '''time''' specifies the measured NOE mixing times in ascending order [s]. The NOE mixing times are given as a coma separated list, i.e. time=0.02,0.03,0.04,0.05.

	If any diagonal peaks or auto-relaxation values are missing, a file "missRhoIzero.out" is written. The file is convienently used to edit and provide the missing values, see *[[CYANA Command: read rho\|read rho]]

Dean: /* Parameters */

2019-09-11T14:55:39Z

Parameters

← Older revision		Revision as of 16:55, 11 September 2019
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	; normalize=''integer'': (default: ''1'')		; normalize=''integer'': (default: ''1'')
	; normed =''integer'': (default: ''1'')		; normed =''integer'': (default: ''1'')
	~~; rhoavg =''real'': (default: ''none'')~~
	; time =''real'', coma separated list: (required)		; time =''real'', coma separated list: (required)

Dean: /* Description */

2019-04-02T09:42:38Z

Description

← Older revision		Revision as of 11:42, 2 April 2019
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	== Description ==		== Description ==

	This command initializes the eNORA routine, fits the diagonal decays to obtain the auto-relaxation (rho) values and back-predicted diagonal intensities, I(0) values. The routine then normalizes the cross peak intensities with the fitted or user supplied I(0) values and fits the experimental buildups using the fitted or user supplied rho values. As input the module requires as many peak-lists (one per mixing time) as there are mixing times specified (see below, parameter: time).		This command initializes the eNORA routine, fits the diagonal decays to obtain the auto-relaxation (rho) values and back-predicted diagonal intensities, I(0) values. The routine then normalizes the cross peak intensities with the fitted or user supplied I(0) values and fits the experimental buildups using the fitted or user supplied rho values (see below and *[[CYANA Command: read rho\|read rho]]). As input the module requires as many peak-lists (one per mixing time) as there are mixing times specified (see below, parameter: time).

	The diagonal peak to use for normalization is specified by the parameter '''normalize'''; using the normalize=1 or normalize=2, with the integers referring to the proton dimension in the peak list.		The diagonal peak to use for normalization is specified by the parameter '''normalize'''; using the normalize=1 or normalize=2, with the integers referring to the proton dimension in the peak list.

Dean: /* Description */

2019-04-02T09:40:45Z

Description

← Older revision		Revision as of 11:40, 2 April 2019
Line 10:		Line 10:
	== Description ==		== Description ==

	This command initializes the eNORA routine, fits the diagonal decays to obtain the auto-relaxation (rho) values and back-predicted diagonal intensities, I(0) values. The routine then normalizes the cross peak intensities with the I(0) values and fits the experimental buildups. As input the module requires as many ~~peaklists~~ (one per mixing time) as there are mixing times specified (see below, parameter: time).		This command initializes the eNORA routine, fits the diagonal decays to obtain the auto-relaxation (rho) values and back-predicted diagonal intensities, I(0) values. The routine then normalizes the cross peak intensities with the fitted or user supplied I(0) values and fits the experimental buildups using the fitted or user supplied rho values. As input the module requires as many peak-lists (one per mixing time) as there are mixing times specified (see below, parameter: time).

	The diagonal peak to use for normalization is specified by the parameter '''normalize'''; using the normalize=1 or normalize=2, with the integers referring to the proton dimension in the peak list.		The diagonal peak to use for normalization is specified by the parameter '''normalize'''; using the normalize=1 or normalize=2, with the integers referring to the proton dimension in the peak list.

Dean: /* Description */

2019-04-02T09:19:18Z

Description

← Older revision		Revision as of 11:19, 2 April 2019
Line 10:		Line 10:
	== Description ==		== Description ==

	This command initializes the eNORA routine, fits the diagonal decays to obtain the auto-relaxation (rho) values and back-predicted diagonal intensities, I(0) values. The routine then normalizes the cross peak intensities with the I(0) values and fits the experimental buildups. As input the module requires as many peaklists (one per mixing time) as there are mixing times specified (see below, parameter time).		This command initializes the eNORA routine, fits the diagonal decays to obtain the auto-relaxation (rho) values and back-predicted diagonal intensities, I(0) values. The routine then normalizes the cross peak intensities with the I(0) values and fits the experimental buildups. As input the module requires as many peaklists (one per mixing time) as there are mixing times specified (see below, parameter: time).

	The diagonal peak to use for normalization is specified by the parameter '''normalize'''; using the normalize=1 or normalize=2, with the integers referring to the proton dimension in the peak list.		The diagonal peak to use for normalization is specified by the parameter '''normalize'''; using the normalize=1 or normalize=2, with the integers referring to the proton dimension in the peak list.

Dean: /* Description */

2019-04-02T09:10:01Z

Description

← Older revision		Revision as of 11:10, 2 April 2019
Line 10:		Line 10:
	== Description ==		== Description ==

	This command initializes the eNORA routine, fits the diagonal decays to obtain the auto-relaxation (rho) values and back-predicted diagonal intensities, I(0) values. The routine then normalizes the cross peak intensities with the I(0) values and fits the experimental buildups.		This command initializes the eNORA routine, fits the diagonal decays to obtain the auto-relaxation (rho) values and back-predicted diagonal intensities, I(0) values. The routine then normalizes the cross peak intensities with the I(0) values and fits the experimental buildups. As input the module requires as many peaklists (one per mixing time) as there are mixing times specified (see below, parameter time).

	The diagonal peak to use for normalization is specified by the parameter '''normalize'''; using the normalize=1 or normalize=2, with the integers referring to the proton dimension in the peak list.		The diagonal peak to use for normalization is specified by the parameter '''normalize'''; using the normalize=1 or normalize=2, with the integers referring to the proton dimension in the peak list.

Dean: /* Description */

2019-04-02T09:06:52Z

Description

← Older revision		Revision as of 11:06, 2 April 2019
Line 10:		Line 10:
	== Description ==		== Description ==

	This command initializes the eNORA routine, fits the diagonal decays to obtain the auto-relaxation (rho) values and I(0), normalizes the cross peak intensities and fits the experimental buildups.		This command initializes the eNORA routine, fits the diagonal decays to obtain the auto-relaxation (rho) values and back-predicted diagonal intensities, I(0) values. The routine then normalizes the cross peak intensities with the I(0) values and fits the experimental buildups.

	The diagonal peak to use for normalization is specified by the parameter '''normalize'''; using the normalize=1 or normalize=2, with the integers referring to the proton dimension in the peak list.		The diagonal peak to use for normalization is specified by the parameter '''normalize'''; using the normalize=1 or normalize=2, with the integers referring to the proton dimension in the peak list.

Dean: /* Description */

2019-04-01T15:13:03Z

Description

← Older revision		Revision as of 17:13, 1 April 2019
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	A spin-type specific value may be calculated to be read in a file containing spin type specific auto-relaxation values, the same file may be used to read spin-type specific I(0) values, see * [[CYANA Command: read rho\|read rho]].		A spin-type specific value may be calculated to be read in a file containing spin type specific auto-relaxation values, the same file may be used to read spin-type specific I(0) values, see * [[CYANA Command: read rho\|read rho]].

	The parameter '''time''' specifies the measured NOE mixing times in ascending order [s]. The NOE mixing times are given as a coma separated list, i.e. time=0.02,0.04,0.06		The parameter '''time''' specifies the measured NOE mixing times in ascending order [s]. The NOE mixing times are given as a coma separated list, i.e. time=0.02,0.03,0.04,0.05.

	If any diagonal peaks or auto-relaxation values are missing, a file "missRhoIzero.out" is written. The file is convienently used to edit and provide the missing values, see *[[CYANA Command: read rho\|read rho]]		If any diagonal peaks or auto-relaxation values are missing, a file "missRhoIzero.out" is written. The file is convienently used to edit and provide the missing values, see *[[CYANA Command: read rho\|read rho]]

Dean: /* Parameters */

2019-04-01T15:10:23Z

Parameters

← Older revision		Revision as of 17:10, 1 April 2019
Line 6:		Line 6:
	; normed =''integer'': (default: ''1'')		; normed =''integer'': (default: ''1'')
	; rhoavg =''real'': (default: ''none'')		; rhoavg =''real'': (default: ''none'')
	; time =''~~string~~'': (required)		; time =''real'', coma separated list: (required)

	== Description ==		== Description ==

Dean at 14:59, 1 April 2019

2019-04-01T14:59:19Z

← Older revision		Revision as of 16:59, 1 April 2019
Line 12:		Line 12:
	This command initializes the eNORA routine, fits the diagonal decays to obtain the auto-relaxation (rho) values and I(0), normalizes the cross peak intensities and fits the experimental buildups.		This command initializes the eNORA routine, fits the diagonal decays to obtain the auto-relaxation (rho) values and I(0), normalizes the cross peak intensities and fits the experimental buildups.

	The diagonal peak to use for normalization is specified by the parameter '''normalize''', using the ~~integers~~ 1 or 2, with the integers referring to the proton dimension in the peak list.		The diagonal peak to use for normalization is specified by the parameter '''normalize'''; using the normalize=1 or normalize=2, with the integers referring to the proton dimension in the peak list.
	The parameter '''normed''' specifies, if one wants to keep non-normalizable peaks (0) or only peaks that are properly normalized (1).		The parameter '''normed''' specifies, if one wants to keep non-normalizable peaks (normed=0) or only peaks that are properly normalized (normed=1).

	In practice, many diagonal peak decays cannot be fitted (due to spectral overlap, artifacts, etc.):		In practice, many diagonal peak decays cannot be fitted (due to spectral overlap, artifacts, etc.):
	The parameter '''rhoavg''' allows the input of an average auto-relaxation values to be used non specifically [s-1].		The parameter '''rhoavg''' allows the input of an average auto-relaxation values to be used non specifically [s-1].

	A spin-type specific value may be calculated to be read in a file containing spin type specific auto-relaxation values, the same file may be used to read spin-type specific I(0) values,		A spin-type specific value may be calculated to be read in a file containing spin type specific auto-relaxation values, the same file may be used to read spin-type specific I(0) values, see * [[CYANA Command: read rho\|read rho]].
	see * [[CYANA Command: read rho\|read rho]].

	The parameter '''time''' specifies the measured NOE mixing times in ascending order [s]. The NOE mixing times are given as a coma separated list, i.e. time=0.02,0.04,0.06		The parameter '''time''' specifies the measured NOE mixing times in ascending order [s]. The NOE mixing times are given as a coma separated list, i.e. time=0.02,0.04,0.06

	If any diagonal peaks or auto-relaxation values are missing, a file "missRhoIzero.out" is written. The file is convienently used to edit and provide the missing values, see *[[CYANA Command: read rho\|read rho]]		If any diagonal peaks or auto-relaxation values are missing, a file "missRhoIzero.out" is written. The file is convienently used to edit and provide the missing values, see *[[CYANA Command: read rho\|read rho]]