.. algorithm:: .. summary:: .. relatedalgorithms:: .. properties:: Description ----------- Loads an ASCII .hkl file to a PeaksWorkspace. HKL File Format ############### File has same format that works successfully in GSAS and SHELX from ISAW: hklFile.write('%4d%4d%4d%8.2f%8.2f%4d%8.4f%7.4f%7d%7d%7.4f%4d%9.5f%9.4f\\n'% (H, K, L, FSQ, SIGFSQ, hstnum, WL, TBAR, CURHST, SEQNUM, TRANSMISSION, DN, TWOTH, DSP)) HKL is flipped by -1 due to different q convention in ISAW vs Mantid. FSQ = integrated intensity of peak (scaled) SIGFSQ = sigma from integrating peak hstnum = number of sample orientation (starting at 1) WL = wavelength of peak TBAR = output of absorption correction (-log(transmission)/mu) CURHST = run number of sample SEQNUM = peak number (unique number for each peak in file) TRANSMISSION = output of absorption correction (exp(-mu\*tbar)) DN = detector bank number TWOTH = two-theta scattering angle DSP = d-Spacing of peak (Angstroms)/TR Last line must have all 0's Usage ----- **Example** .. testcode:: ExLoadHKL import os # make a peaks workspace LoadEmptyInstrument(InstrumentName='SXD', OutputWorkspace='sxd') ub = np.array([[-0.00601763, 0.07397297, 0.05865706], [0.05373321, 0.050198, -0.05651455], [-0.07822144, 0.0295911, -0.04489172]]) SetUB('SXD', UB=ub) wsPeaks = PredictPeaks('SXD', WavelengthMin=1, WavelengthMax=1.1, MinDSpacing=1, MaxDSPacing=1.1) # save and load peaks in .hkl format SaveHKL(wsPeaks, Filename='testHKL.hkl') wsHKL = LoadHKL('testHKL.hkl') #remove the file we created alg = wsHKL.getHistory().lastAlgorithm() filePath = alg.getPropertyValue("Filename") os.remove(filePath) .. categories:: .. sourcelink::