hqs_nmr.conversion

Collection of functions and constants for conversion between units.

Functions

`Hz_to_ppm`(variable, calculation_parameters)	Convert variable from Hz to ppm.
`Hz_to_rad_per_s`(variable)	Convert variable from Hz to rad / s.
`field_T_to_frequency_MHz`(field_T[, ...])	Convert field in Tesla to a reference frequency in MHz with respect to specified isotope.
`frequency_MHz_to_field_T`(frequency_MHz[, ...])	Convert reference frequency in MHz with respect to specified isotope to field in Tesla.
`ppm_to_Hz`(variable, calculation_parameters)	Convert variable from ppm to Hz.
`ppm_to_rad_per_s`(variable, ...)	Convert variable from ppm to rad / s.
`rad_per_s_to_Hz`(variable)	Convert variable from rad / s to Hz.
`rad_per_s_to_ppm`(variable, ...)	Convert variable from rad / s to ppm.

hqs_nmr.conversion.field_T_to_frequency_MHz(field_T: float, reference_isotope: Isotope = (1, 'H'), gyromagnetic_ratios: dict[Isotope, float] = {(1, 'H'): 267522128.0, (13, 'C'): 67282840.0, (15, 'N'): -27126180.4, (19, 'F'): 251814800.0, (31, 'P'): 108394000.0}) → float[source]

Convert field in Tesla to a reference frequency in MHz with respect to specified isotope.

Parameters:

field_T – Magnetic field in Tesla.
reference_isotope – Reference isotope for the conversion.
gyromagnetic_ratios – Dictionary of gyromagnetic ratios in rad / (T s).

Returns:

Reference frequency.

hqs_nmr.conversion.frequency_MHz_to_field_T(frequency_MHz: float, reference_isotope: Isotope = (1, 'H'), gyromagnetic_ratios: dict[Isotope, float] = {(1, 'H'): 267522128.0, (13, 'C'): 67282840.0, (15, 'N'): -27126180.4, (19, 'F'): 251814800.0, (31, 'P'): 108394000.0}) → float[source]

Convert reference frequency in MHz with respect to specified isotope to field in Tesla.

Parameters:

frequency_MHz – Reference energy in MHz.
reference_isotope – Reference isotope for the conversion.
gyromagnetic_ratios – Dictionary of gyromagnetic ratios in rad / (T s).

Returns:

Reference frequency.

hqs_nmr.conversion.rad_per_s_to_ppm(variable: Any, calculation_parameters: NMRCalculationParameters) → Any[source]

Convert variable from rad / s to ppm.

Parameters:

variable – Variable to be converted.
calculation_parameters – Calculation parameters used for the calculation. Contains the reference isotope and gyromagnetic ratios as well as the magnetic field.

Returns:

Converted variable.

hqs_nmr.conversion.ppm_to_rad_per_s(variable: Any, calculation_parameters: NMRCalculationParameters) → Any[source]

Convert variable from ppm to rad / s.

Parameters:

variable – Variable to be converted.
calculation_parameters – Calculation parameters used for the calculation. Contains the reference isotope and gyromagnetic ratios as well as the magnetic field.

Returns:

Converted variable.

hqs_nmr.conversion.Hz_to_ppm(variable: Any, calculation_parameters: NMRCalculationParameters) → Any[source]

Convert variable from Hz to ppm.

Parameters:

variable – Variable to be converted.
calculation_parameters – Calculation parameters used for the calculation. Contains the reference isotope and gyromagnetic ratios as well as the magnetic field.

Returns:

Converted variable.

hqs_nmr.conversion.ppm_to_Hz(variable: Any, calculation_parameters: NMRCalculationParameters) → Any[source]

Convert variable from ppm to Hz.

Parameters:

variable – Variable to be converted.
calculation_parameters – Calculation parameters used for the calculation. Contains the reference isotope and gyromagnetic ratios as well as the magnetic field.

Returns:

Converted variable.

hqs_nmr.conversion.rad_per_s_to_Hz(variable: Any) → Any[source]

Convert variable from rad / s to Hz.

Parameters:: variable – Variable to be converted.
Returns:: Converted variable.

hqs_nmr.conversion.Hz_to_rad_per_s(variable: Any) → Any[source]

Convert variable from Hz to rad / s.

Parameters:: variable – Variable to be converted.
Returns:: Converted variable.