MagneticFormFactorCorrectionMD v1#

Summary#

Apply magnetic form factor correction to MD events by dividing signal with F(Q)^2

Properties#

Name	Direction	Type	Default	Description
InputWorkspace	Input	MDEventWorkspace	Mandatory	An input MDEventWorkspace. Must be in Q.
OutputWorkspace	Output	MDEventWorkspace	Mandatory	The output MDEventWorkspace with correction applied.
IonName	Input	string	Cu2	The name of the ion: an element symbol with a number indicating the valence, e.g. Fe2 for Fe2+ / Fe(II). Allowed values: [‘Au5’, ‘Au2’, ‘Au1’, ‘Pt6’, ‘Pt4’, ‘Pt3’, ‘Pt2’, ‘Ir6’, ‘Au4’, ‘Ir4’, ‘Pd1’, ‘Pd0’, ‘Pr3’, ‘Np4’, ‘Mo0’, ‘Rh0’, ‘Ir5’, ‘Zr1’, ‘Y0’, ‘Eu2’, ‘Tm2’, ‘Zr0’, ‘Ce2’, ‘Fe1’, ‘Gd2’, ‘U5’, ‘Re0’, ‘Cu3’, ‘Am4’, ‘Mo1’, ‘Mn2’, ‘Cu2’, ‘Cr3’, ‘Cu0’, ‘Ni4’, ‘Ni1’, ‘Tc0’, ‘U3’, ‘Ni0’, ‘Rh1’, ‘Nb1’, ‘Re6’, ‘Fe3’, ‘Tc1’, ‘Ti3’, ‘Cr4’, ‘Yb2’, ‘Fe0’, ‘Yb3’, ‘Cu1’, ‘Ni3’, ‘Ir1’, ‘Ni2’, ‘W0’, ‘W1’, ‘Ti0’, ‘Co3’, ‘Am7’, ‘Co1’, ‘V4’, ‘Pu3’, ‘Ti2’, ‘Mn3’, ‘Mn0’, ‘Co2’, ‘Cu4’, ‘Er2’, ‘V2’, ‘Ta3’, ‘Ce3’, ‘Sc1’, ‘Cr1’, ‘V1’, ‘Ta4’, ‘Mn4’, ‘W5’, ‘Ir2’, ‘Np6’, ‘Cr2’, ‘Ru0’, ‘Np5’, ‘W3’, ‘V0’, ‘Au3’, ‘Fe2’, ‘V3’, ‘Tm3’, ‘Mn1’, ‘Ti1’, ‘Nd3’, ‘Fe4’, ‘Nd2’, ‘Sm2’, ‘Sm3’, ‘Eu3’, ‘Os3’, ‘Gd3’, ‘Tb3’, ‘Tb2’, ‘Dy2’, ‘Hf3’, ‘Am5’, ‘Os6’, ‘Pt1’, ‘Dy3’, ‘Ho2’, ‘Os2’, ‘Ho3’, ‘Pu5’, ‘Re3’, ‘Er3’, ‘U4’, ‘Ir0’, ‘Np3’, ‘Cr0’, ‘Os7’, ‘Pu4’, ‘Pu6’, ‘Co4’, ‘Ir3’, ‘Am2’, ‘Re2’, ‘Am3’, ‘Sc2’, ‘Os1’, ‘Am6’, ‘Hf2’, ‘Ta2’, ‘Co0’, ‘Re4’, ‘Pt5’, ‘W2’, ‘Ru1’, ‘Re5’, ‘Nb0’, ‘Sc0’, ‘W4’, ‘Re1’, ‘Os0’, ‘Os4’, ‘Os5’]

Description#

Scales the the signal and error of MD events by \(1/|F(Q)|^2\) where \(F(Q)\) is the magnetic form factor for the ion specified in IonName.

IonName must be specified as a string with the element name followed by a number which indicates the charge / oxidation state. E.g. Fe2 indicates \(\mathrm{Fe}^{2+}\) or Fe(II).

Input workspace must be in Q with either 1 dimension of |Q| or 3 Q_sample/Q_lab dimensions. It is assumed that the Q dimensions come first follow by any number of other dimensions.

Usage#

Example - MagneticFormFactorCorrectionMD

# Create a test MD workspace
ws = CreateMDWorkspace(Dimensions='1', Extents='1,4',
                       Names='|Q|', Units='A')
FakeMDEventData(ws, UniformParams=-6000)

# Run the algorithm
wsOut = MagneticFormFactorCorrectionMD(ws, IonName="U5")

# Bin the result so that it can be printed
wsOut = BinMD(wsOut, AlignedDim0='|Q|,1,4,6')
ws = BinMD(ws, AlignedDim0='|Q|,1,4,6')

# Print the result
print("Input signal:    ", [int(x) for x in ws.getSignalArray()])
print("Corrected signal:", [int(x) for x in wsOut.getSignalArray()])

Output:

Input signal:     [1000, 1000, 1000, 1000, 1000, 1000]
Corrected signal: [1137, 1281, 1498, 1813, 2270, 2937]

Categories: AlgorithmIndex | MDAlgorithms

Source#

C++ header: MagneticFormFactorCorrectionMD.h

C++ source: MagneticFormFactorCorrectionMD.cpp