In [1]:

    

# import some useful utils
%matplotlib notebook
from matplotlib import pyplot as plt
import numpy as np
import histogram.hdf as hh, histogram as H


    

    




/home/lj7/anaconda2/envs/dev-mph/lib/python2.7/site-packages/matplotlib/font_manager.py:273: UserWarning: Matplotlib is building the font cache using fc-list. This may take a moment.
  warnings.warn('Matplotlib is building the font cache using fc-list. This may take a moment.')

In [2]:

    

# where is the data?
!ls /SNS/ARCS/2012_2_18_CAL/0/30585/NeXus


    

    




ARCS_30585_event.nxs  ARCS_30585_histo.nxs

In [7]:

    

# reduction command help
!mcvine instruments arcs nxs reduce --help


    

    




/home/lj7/anaconda2/envs/dev-mph/lib/python2.7/site-packages/mcvine/deployment_info.py:41: UserWarning: Neither environment variable MCVINE_DIR nor DANSE_DIR was defined. Assumed that it is /home/lj7/anaconda2/envs/dev-mph.
  warnings.warn(msg)
Usage: mcvine instruments arcs nxs reduce [OPTIONS] NXS

  run reduction

Options:
  --out TEXT                      output path. Eg. iqe.nxs
  --use_ei_guess TEXT
  --ei_guess FLOAT                guess for Ei
  --qaxis <FLOAT FLOAT FLOAT>...  Qmin Qmax dQ
  --eaxis <FLOAT FLOAT FLOAT>...  Emin Emax dE
  --help                          Show this message and exit.

In [9]:

    

# run reduction
!mcvine instruments arcs nxs reduce /SNS/ARCS/2012_2_18_CAL/0/30585/NeXus/ARCS_30585_event.nxs\
  --out=v30585-iqe.nxs --eaxis -100 100 1. --qaxis 0 15 .1


    

    




/home/lj7/anaconda2/envs/dev-mph/lib/python2.7/site-packages/mcvine/deployment_info.py:41: UserWarning: Neither environment variable MCVINE_DIR nor DANSE_DIR was defined. Assumed that it is /home/lj7/anaconda2/envs/dev-mph.
  warnings.warn(msg)
/home/lj7/anaconda2/envs/dev-mph/lib/python2.7/site-packages/mantid/kernel/__init__.py:13: RuntimeWarning: to-Python converter for std::vector<int, std::allocator<int> > already registered; second conversion method ignored.
  from ._kernel import *
/home/lj7/anaconda2/envs/dev-mph/lib/python2.7/site-packages/mantid/kernel/__init__.py:13: RuntimeWarning: to-Python converter for std::vector<double, std::allocator<double> > already registered; second conversion method ignored.
  from ._kernel import *
FrameworkManager-[Notice] Welcome to Mantid 3.6.100
FrameworkManager-[Notice] Please cite: http://dx.doi.org/10.1016/j.nima.2014.07.029 and this release: http://dx.doi.org/10.5286/Software/Mantid3.6.100
DgsReduction-[Notice] DgsReduction started
DgsConvertToEnergyTransfer-[Notice] Starting DgsConvertToEnergyTransfer
DgsConvertToEnergyTransfer-[Notice] Processing for SNS
DgsConvertToEnergyTransfer-[Notice] Trying to determine file name
DgsConvertToEnergyTransfer-[Notice] Loading NeXus monitors
GetEi-[Notice] Incident energy calculated at Ei= 116.446 meV from initial guess = 120 meV
DgsConvertToEnergyTransfer-[Notice] Adjusting for T0
DgsPreprocessData-[Notice] Starting DgsPreprocessData
DgsPreprocessData-[Notice] Incident beam norm method = None
DgsConvertToEnergyTransfer-[Notice] Converting to energy transfer.
DgsConvertToEnergyTransfer-[Notice] Rebinning data
DgsConvertToEnergyTransfer-[Notice] Rebinning data
DgsConvertToEnergyTransfer-[Notice] Making distribution
DgsReduction-[Notice] DgsReduction successful, Duration 24.03 seconds
SofQWNormalisedPolygon-[Notice] SofQWNormalisedPolygon started
SofQWNormalisedPolygon-[Notice] SofQWNormalisedPolygon successful, Duration 37.80 seconds
SaveNexus-[Notice] SaveNexus started
SaveNexus-[Notice] SaveNexus successful, Duration 27.44 seconds

In [2]:

    

# convert Mantid workspace to histogram of S(Q,E)
!mcvine mantid extract_iqe v30585-iqe.nxs v30585-iqe.h5


    

    




/home/lj7/anaconda2/envs/dev-mph/lib/python2.7/site-packages/mcvine/deployment_info.py:41: UserWarning: Neither environment variable MCVINE_DIR nor DANSE_DIR was defined. Assumed that it is /home/lj7/anaconda2/envs/dev-mph.
  warnings.warn(msg)

In [4]:

    

# plot measured S(Q,E)
iqe = hh.load("v30585-iqe.h5")
H.plot(iqe, min=0)


    

    




plot z in (0, 1.20380248693)






    















    

In [25]:

    

# Compute DOS from SQE
# load data
iqehist = hh.load("./v30585-iqe.h5") 
# interpolate data
from multiphonon.sqe import interp
newiqe = interp(iqehist, newE = np.arange(-70, 70, 1.))
# save interpolated data
hh.dump(newiqe, 'tmp-iqe-interped.h5')
# create processing engine
from multiphonon.backward import sqe2dos
iterdos = sqe2dos.sqe2dos(
  newiqe, T=300, Ecutoff=50., 
  elastic_E_cutoff=(-20., 7), M=50.94,
  C_ms=0.3, Ei=116.446, workdir='work-V')
doses = [i for i in iterdos]


    

In [26]:

    

# Plot DOS
H.plot(doses[-1])


    

In [27]:

    

# Plot S(E) of various kinds from the last round of iteration
!python work-V/round-6/plot_se.py


    

    




/home/lj7/anaconda2/envs/dev-mph/lib/python2.7/site-packages/matplotlib/font_manager.py:273: UserWarning: Matplotlib is building the font cache using fc-list. This may take a moment.
  warnings.warn('Matplotlib is building the font cache using fc-list. This may take a moment.')
/home/lj7/anaconda2/envs/dev-mph/lib/python2.7/site-packages/histogram/hdf/Loader.py:129: FutureWarning: elementwise comparison failed; returning scalar instead, but in the future will perform elementwise comparison
  if 'storage' in list(dataGroup): # this uses the 'storage' convention
GLib-GIO-Message: Using the 'memory' GSettings backend.  Your settings will not be saved or shared with other applications.

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