Changeset 2761
- Timestamp:
- Mar 25, 2017 2:26:29 PM (6 years ago)
- Location:
- trunk
- Files:
-
- 2 edited
Legend:
- Unmodified
- Added
- Removed
-
trunk/GSASIIpwd.py
r2758 r2761 1944 1944 line = ' Refined parameters: Histogram scale: %.4g'%(parmDict['Scale']) 1945 1945 if 'Scale' in varyList: 1946 data['Scale'] = parmDict['Scale']1946 data['Scale'][0] = parmDict['Scale'] 1947 1947 line += ' esd: %.4g'%(sigDict['Scale']) 1948 1948 print line 1949 1949 line = ' Flat background: %15.4g'%(parmDict['FltBack']) 1950 1950 if 'FltBack' in varyList: 1951 data['FltBack'] = parmDict['FltBack']1951 data['FltBack'][0] = parmDict['FltBack'] 1952 1952 line += ' esd: %15.3g'%(sigDict['FltBack']) 1953 1953 print line -
trunk/Substances.py
r1299 r2761 19 19 'Water':{'Elements':{'O':{'Num':1},'H':{'Num':2}},'Density':1.0}, 20 20 'Silicon':{'Elements':{'Si':{'Num':8}},'Volume':160.209}, 21 'a-Quartz':{'Elements':{'Si':{'Num':3},'O':{'Num':6}},'Volume':113.057}, 21 22 'Ethanol':{'Elements':{'C':{'Num':2},'O':{'Num':1},'H':{'Num':6}},}, 22 23 'Polyethylene':{'Elements':{'C':{'Num':1},'H':{'Num':2}},'Density':0.93,}, … … 25 26 'Mylar':{'Elements':{'C':{'Num':5},'H':{'Num':4},'O':{'Num':2}},'Density':1.38,}, 26 27 'Iron':{'Elements':{'Fe':{'Num':4}},'Density':7.87,}, 28 'FeO-wustite':{'Elements':{'Fe':{'Num':4},'O':{'Num':4}},'Volume':79.285}, 29 'Fe2O3-hematite':{'Elements':{'Fe':{'Num':12},'O':{'Num':18}},'Volume':301.689}, 30 'Fe3O4-magnetite':{'Elements':{'Fe':{'Num':24},'O':{'Num':32}},'Volume':591.921}, 27 31 'Zirconium':{'Elements':{'Zr':{'Num':2}},'Density':6.51,}, 28 32 'Carbon':{'Elements':{'C':{'Num':1}},'Density':2.27,}, 29 33 'Titanium':{'Elements':{'Ti':{'Num':1}},'Density':4.51,}, 34 'TiO2-rutile':{'Elements':{'Ti':{'Num':2},'O':{'Num':4}},'Volume':62.452}, 30 35 'Chromium':{'Elements':{'Cr':{'Num':1}},'Density':7.19,}, 31 36 'Nickel':{'Elements':{'Ni':{'Num':4}},'Density':8.90,},
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