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Changes to SMZ data to make a consistent format NO_JIRA
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@IsaacSugden
IsaacSugden committed Aug 29, 2024
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39 changes: 18 additions & 21 deletions Sulfamerazine/Form_one_enthalpy_of_fusion.csv
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SLFNMA02,,,,,,,
Identifier,Property,Value(kJ/mol),Std,N,Name,Reference,Comment
1,Enthalpy of fusion,39.28,,1,2024_COST_Data,W_Wood_Innsbruck_2024,10K/min
2,Enthalpy of fusion,38.67,,1,2024_COST_Data,W_Wood_Innsbruck_2024,10K/min
3,Enthalpy of fusion,37.95,,1,2024_COST_Data,W_Wood_Innsbruck_2024,10K/min
4,Enthalpy of fusion,37.66,,1,2024_COST_Data,W_Wood_Innsbruck_2024,10K/min
5,Enthalpy of fusion,37.37,,1,2024_COST_Data,W_Wood_Innsbruck_2024,10K/min
6,Enthalpy of fusion,38.14,,1,2024_COST_Data,W_Wood_Innsbruck_2024,10K/minafterFII->Itransition
7,Enthalpy of fusion,38.48,,1,2024_COST_Data,W_Wood_Innsbruck_2024,10K/minafterFII->Itransition
8,Enthalpy of fusion,37.64,,1,2024_COST_Data,W_Wood_Innsbruck_2024,10K/minafterFII->Itransition
9,Enthalpy of fusion,39.57,,1,2024_COST_Data,W_Wood_Innsbruck_2024,10K/minafterFII->Itransition
10,Enthalpy of fusion,37.98,,1,2024_COST_Data,W_Wood_Innsbruck_2024,10K/minafterFII->Itransition
11,Enthalpy of fusion,40.8,0.2,3,Ref_data,https://doi.org/10.1002/jps.10100,
12,Enthalpy of fusion,36.3,1.0,6,Ref_data,https://doi.org/10.1002/jps.2600610104,10K/min
13,Enthalpy of fusion,45.80,,1,Ref_data,https://doi.org/10.1016/0040-6031(83)80280-9,2K/min
14,Enthalpy of fusion,41.34,,1,Ref_data,https://doi.org/10.1016/j.ijpharm.2011.05.058,2K/min
15,Enthalpy of fusion,40.62,,1,Ref_data,https://doi.org/10.1016/j.ijpharm.2011.05.058,5K/min
16,Enthalpy of fusion,40.12,,1,Ref_data,https://doi.org/10.1016/j.ijpharm.2011.05.058,10K/min
17,Enthalpy of fusion,39.73,,1,Ref_data,https://doi.org/10.1016/j.ijpharm.2011.05.058,40K/min
18,Enthalpy of fusion,39.04,,1,Ref_data,https://doi.org/10.1016/j.ijpharm.2011.05.058,100K/min
19,Enthalpy of fusion,39.4,,1,Ref_data,https://doi.org/10.1107/S0108768192000910,Theenthalpyandentropyoffusionfromrepeatedrunsyieldedrangesof38.5-40.3kJ/moland75.6-79.1J/K/molrespectively
SLFNMA02,,,,,,,,,,,,,,,,,,,
Identifier,Property,Value(kJ/mol),Std,N,Name,Reference,Comment,,,,,,,,,,,,
1,Enthalpy of fusion,39.28,,1,Wood,W_Wood_Innsbruck_2024,10K/min,,,,,,,,,,,,
2,Enthalpy of fusion,38.67,,1,Wood,W_Wood_Innsbruck_2024,10K/min,,,,,,,,,,,,
3,Enthalpy of fusion,37.95,,1,Wood,W_Wood_Innsbruck_2024,10K/min,,,,,,,,,,,,
4,Enthalpy of fusion,37.66,,1,Wood,W_Wood_Innsbruck_2024,10K/min,,,,,,,,,,,,
5,Enthalpy of fusion,37.37,,1,Wood,W_Wood_Innsbruck_2024,10K/min,,,,,,,,,,,,
6,Enthalpy of fusion,38.14,,1,Wood,W_Wood_Innsbruck_2024,10K/minafterFII->Itransition,,,,,,,,,,,,
7,Enthalpy of fusion,38.48,,1,Wood,W_Wood_Innsbruck_2024,10K/minafterFII->Itransition,,,,,,,,,,,,
8,Enthalpy of fusion,37.64,,1,Wood,W_Wood_Innsbruck_2024,10K/minafterFII->Itransition,,,,,,,,,,,,
9,Enthalpy of fusion,39.57,,1,Wood,W_Wood_Innsbruck_2024,10K/minafterFII->Itransition,,,,,,,,,,,,
10,Enthalpy of fusion,37.98,,1,Wood,W_Wood_Innsbruck_2024,10K/minafterFII->Itransition,,,,,,,,,,,,
11,Enthalpy of fusion,40.8,0.2,3,Zhang_02,https://doi.org/10.1002/jps.10100,,,,,,,,,,,,,
12,Enthalpy of fusion,36.3,1,6,Yang_72,https://doi.org/10.1002/jps.2600610104,10K/min,,,,,,,,,,,,
13,Enthalpy of fusion,45.8,,1,Khattab_83,https://doi.org/10.1016/0040-6031(83)80280-9,2K/min,,,,,,,,,,,,
14,Enthalpy of fusion,40.17,0.872410454,5,Li_11,https://doi.org/10.1016/j.ijpharm.2011.05.058,2K/min,,,,,,,,,,,,
15,Enthalpy of fusion,39.4,,1,Caria_92,https://doi.org/10.1107/S0108768192000910,Theenthalpyandentropyoffusionfromrepeatedrunsyieldedrangesof38.5-40.3kJ/moland75.6-79.1J/K/molrespectively,,,,,,,,,,,,
16,Enthalpy of fusion,41.1,,1,Maury_86,https://doi.org/10.1002/jps.2600740411,,,,,,,,,,,,
34 changes: 16 additions & 18 deletions Sulfamerazine/Form_one_melting_point.csv
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SLFNMA02,,,,,,,
Identifier," Property"," Value (K)"," Std"," N", Name, Reference ,"Comment"
1, Melting point, 236.1, , 1, 2024_COST_Data, W_Wood_Innsbruck_2024, 10 K/min
2, Melting point, 236.1, , 1, 2024_COST_Data, W_Wood_Innsbruck_2024, 10 K/min
3, Melting point, 236.2, , 1, 2024_COST_Data, W_Wood_Innsbruck_2024, 10 K/min
4, Melting point, 236.2, , 1, 2024_COST_Data, W_Wood_Innsbruck_2024, 10 K/min
5, Melting point, 236.2, , 1, 2024_COST_Data, W_Wood_Innsbruck_2024, 10 K/min
6, Melting point, 236.6, , 1, 2024_COST_Data, W_Wood_Innsbruck_2024, 10 K/min after FII->I transition
7, Melting point, 236.0, , 1, 2024_COST_Data, W_Wood_Innsbruck_2024, 10 K/min after FII->I transition
8, Melting point, 236.6, , 1, 2024_COST_Data, W_Wood_Innsbruck_2024, 10 K/min after FII->I transition
9, Melting point, 236.6, , 1, 2024_COST_Data, W_Wood_Innsbruck_2024, 10 K/min after FII->I transition
10, Melting point, 236.5, , 1, 2024_COST_Data, W_Wood_Innsbruck_2024, 10 K/min after FII->I transition
11, Melting point, 237.05, 0.04, 3, Ref_data, https://doi.org/10.1002/jps.10100,
12, Melting point, 236, , , Ref_data, https://doi.org/10.1002/jps.2600610104, 10 K/min
13, Melting point, 236.0, , 1, Ref_data, https://doi.org/10.1016/j.ijpharm.2011.05.058, 2 K/min
14, Melting point, 236.2, , 1, Ref_data, https://doi.org/10.1016/j.ijpharm.2011.05.058, 5 K/min
15, Melting point, 236.8, , 1, Ref_data, https://doi.org/10.1016/j.ijpharm.2011.05.058, 10 K/min
16, Melting point, 236.4, , 1, Ref_data, https://doi.org/10.1016/j.ijpharm.2011.05.058, 40 K/min
17, Melting point, 236.4, , 1, Ref_data, https://doi.org/10.1016/j.ijpharm.2011.05.058, 100 K/min
Identifier,Property,Value (K),Std, N, Name, Reference,Comment
1,Melting point,509.25,,1,Wood,W_Wood_Innsbruck_2024,10 K/min
2,Melting point,509.25,,1,Wood,W_Wood_Innsbruck_2024,10 K/min
3,Melting point,509.35,,1,Wood,W_Wood_Innsbruck_2024,10 K/min
4,Melting point,509.35,,1,Wood,W_Wood_Innsbruck_2024,10 K/min
5,Melting point,509.35,,1,Wood,W_Wood_Innsbruck_2024,10 K/min
6,Melting point,509.75,,1,Wood,W_Wood_Innsbruck_2024,10 K/min after FII->I transition
7,Melting point,509.15,,1,Wood,W_Wood_Innsbruck_2024,10 K/min after FII->I transition
8,Melting point,509.75,,1,Wood,W_Wood_Innsbruck_2024,10 K/min after FII->I transition
9,Melting point,509.75,,1,Wood,W_Wood_Innsbruck_2024,10 K/min after FII->I transition
10,Melting point,509.65,,1,Wood,W_Wood_Innsbruck_2024,10 K/min after FII->I transition
11,Melting point,510.2,0.04,3,Zhang_02,https://doi.org/10.1002/jps.10100,
12,Melting point,509.15,,1,Yang_72, https://doi.org/10.1002/jps.2600610104, 10 K/min
13,Melting point,509.51,0.296647939,4,Li_11,https://doi.org/10.1016/j.ijpharm.2011.05.058, 2 K/min
14,Melting point,506.35,,1,Khattab_83,https://doi.org/10.1016/0040-6031(83)80280-9,
15,Melting point,509.15,,1,Kuhnert-Brandst�tter_69,https://doi.org/10.1007/BF01271407,
7 changes: 2 additions & 5 deletions Sulfamerazine/Form_two_enthalpy_of_fusion.csv
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SLFNMA01,,,,,,,
Identifier," Property"," Value (kJ/mol)"," Std"," N", Name, Reference ,"Comment"
1, Melting point, 0.05, , 1, Ref_data, https://doi.org/10.1016/j.ijpharm.2011.05.058, 5 K/min
2, Melting point, 0.06, , 1, Ref_data, https://doi.org/10.1016/j.ijpharm.2011.05.058, 10 K/min
3, Melting point, 0.41, , 1, Ref_data, https://doi.org/10.1016/j.ijpharm.2011.05.058, 40 K/min
4, Melting point, 1.14, , 1, Ref_data, https://doi.org/10.1016/j.ijpharm.2011.05.058, 100 K/min
Identifier," Property"," Value (kJ/mol)"," Std"," N"," Name"," Reference ",Comment
1,Enthalpy of Fusion,0.415,0.511501059,4,Li_11," https://doi.org/10.1016/j.ijpharm.2011.05.058", Combined different heating rates
40 changes: 18 additions & 22 deletions Sulfamerazine/Form_two_enthalpy_of_transition.csv
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SLFNMA01,,,,,,,
Identifier,Property,Value (kJ/mol), Std," N", Name," Reference "," Comment"
1, Enthalpy of transition,2.95,,1, 2024_COST_Data,W_Wood_Innsbruck_2024," 10 K/min"
2, Enthalpy of transition,2.94,,1, 2024_COST_Data,W_Wood_Innsbruck_2024," 10 K/min"
3, Enthalpy of transition,2.84,,1, 2024_COST_Data,W_Wood_Innsbruck_2024," 10 K/min"
4, Enthalpy of transition,2.93,,1, 2024_COST_Data,W_Wood_Innsbruck_2024," 10 K/min"
5, Enthalpy of transition,2.78,,1, 2024_COST_Data,W_Wood_Innsbruck_2024," 10 K/min"
6, Enthalpy of transition,2.91,,1, 2024_COST_Data,W_Wood_Innsbruck_2024," 5 K/min"
7, Enthalpy of transition,2.91,,1, 2024_COST_Data,W_Wood_Innsbruck_2024," 5 K/min"
8, Enthalpy of transition,2.96,,1, 2024_COST_Data,W_Wood_Innsbruck_2024," 5 K/min"
9, Enthalpy of transition,3.03,,1, 2024_COST_Data,W_Wood_Innsbruck_2024," 5 K/min"
10, Enthalpy of transition,2.93,,1, 2024_COST_Data,W_Wood_Innsbruck_2024," 5 K/min"
11, Enthalpy of transition,2.58,,1, 2024_COST_Data,W_Wood_Innsbruck_2024," 1 K/min"
12, Enthalpy of transition,2.53,,1, 2024_COST_Data,W_Wood_Innsbruck_2024," 1 K/min"
13, Enthalpy of transition,2.56,,1, 2024_COST_Data,W_Wood_Innsbruck_2024," 1 K/min"
14, Enthalpy of transition,2.52,,1, 2024_COST_Data,W_Wood_Innsbruck_2024," 1 K/min"
15, Enthalpy of transition,2.41,,1, 2024_COST_Data,W_Wood_Innsbruck_2024," 1 K/min"
16, Enthalpy of transition,3.12,0.01,3, Ref_data,https://doi.org/10.1002/jps.10100,
17, Enthalpy of transition,1.4, ,1, Ref_data,https://doi.org/10.1107/S0108768192000910, 5 K/min
18, Enthalpy of transition,2.96,,1, Ref_data,https://doi.org/10.1016/j.ijpharm.2011.05.058, 2 K/min
19, Enthalpy of transition,2.88,,1, Ref_data,https://doi.org/10.1016/j.ijpharm.2011.05.058, 5 K/min
20, Enthalpy of transition,2.65,,1, Ref_data,https://doi.org/10.1016/j.ijpharm.2011.05.058, 10 K/min
21, Enthalpy of transition,2.6,,1, Ref_data,https://doi.org/10.1016/j.ijpharm.2011.05.058, 40 K/min
22, Enthalpy of transition,2.54,,1, Ref_data,https://doi.org/10.1016/j.ijpharm.2011.05.058, 100 K/min
1, Enthalpy of transition,2.95,,1,Wood,W_Wood_Innsbruck_2024," 10 K/min"
2, Enthalpy of transition,2.94,,1,Wood,W_Wood_Innsbruck_2024," 10 K/min"
3, Enthalpy of transition,2.84,,1,Wood,W_Wood_Innsbruck_2024," 10 K/min"
4, Enthalpy of transition,2.93,,1,Wood,W_Wood_Innsbruck_2024," 10 K/min"
5, Enthalpy of transition,2.78,,1,Wood,W_Wood_Innsbruck_2024," 10 K/min"
6, Enthalpy of transition,2.91,,1,Wood,W_Wood_Innsbruck_2024," 5 K/min"
7, Enthalpy of transition,2.91,,1,Wood,W_Wood_Innsbruck_2024," 5 K/min"
8, Enthalpy of transition,2.96,,1,Wood,W_Wood_Innsbruck_2024," 5 K/min"
9, Enthalpy of transition,3.03,,1,Wood,W_Wood_Innsbruck_2024," 5 K/min"
10, Enthalpy of transition,2.93,,1,Wood,W_Wood_Innsbruck_2024," 5 K/min"
11, Enthalpy of transition,2.58,,1,Wood,W_Wood_Innsbruck_2024," 1 K/min"
12, Enthalpy of transition,2.53,,1,Wood,W_Wood_Innsbruck_2024," 1 K/min"
13, Enthalpy of transition,2.56,,1,Wood,W_Wood_Innsbruck_2024," 1 K/min"
14, Enthalpy of transition,2.52,,1,Wood,W_Wood_Innsbruck_2024," 1 K/min"
15, Enthalpy of transition,2.41,,1,Wood,W_Wood_Innsbruck_2024," 1 K/min"
16, Enthalpy of transition,3.12,0.01,3,Zhang_02,https://doi.org/10.1002/jps.10100,
17, Enthalpy of transition,1.4, ,1,Caria_92,https://doi.org/10.1107/S0108768192000910, 5 K/min
18, Enthalpy of transition,2.726,0.183521116,5,Li_11,https://doi.org/10.1016/j.ijpharm.2011.05.058, Combined results from different heating rates
11 changes: 4 additions & 7 deletions Sulfamerazine/Form_two_melting_point.csv
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SLFNMA01,,,,,,,
Identifier," Property"," Value (K)"," Std"," N"," Name"," Reference ",Comment
1," Melting point"," 213.0"," "," 1"," Ref_data"," https://doi.org/10.1002/jps.10100"," "
2," Melting point"," 212.6", ," 1"," Ref_data"," https://doi.org/10.1016/j.ijpharm.2011.05.058", 5 K/min
3," Melting point"," 212.8", ," 1"," Ref_data"," https://doi.org/10.1016/j.ijpharm.2011.05.058", 10 K/min
4," Melting point"," 212.5", ," 1"," Ref_data"," https://doi.org/10.1016/j.ijpharm.2011.05.058", 40 K/min
5," Melting point"," 211.9", ," 1"," Ref_data"," https://doi.org/10.1016/j.ijpharm.2011.05.058", 100 K/min
SLFNMA01,,,,,,,,,,,
Identifier," Property"," Value (K)"," Std"," N"," Name"," Reference ",Comment,,,,
1," Melting point",486.15,,1,Zhang_02," https://doi.org/10.1002/jps.10100"," ",,,,
2," Melting point",485.60,0.387298335,4,Li_11," https://doi.org/10.1016/j.ijpharm.2011.05.058",collected results at different heating rates,,,,

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