I score statistics

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The stats view lists pairs of compounds and their corresponding I scores. The numbers are linked to the respective conditions, which the statistics are based on.

view crystallization statistics

Fields in the crystallization statistics table

KeyDatabase fieldHeaderDescription
NUMIDNUMIDNUMIDThe numerical id. 
DatDATLast updateThe date on which the entry was last changed. 
ParPARParThe owner of the statistics data set (admin). 
OwnerOWNEROwnerThe owner of the statistics entry (admin). 
IdentAIDENTAComponent AComponent A denotes the first component of the crystallization solution including concentration sampling ranges. The default concentration sampling ranges are 0.5 M, 5 % and 5 mg/ml. 
IdentBIDENTBComponent BComponent B denotes the second component of the crystallization solution including concentration sampling ranges. The default concentration sampling ranges are 0.5 M, 5 % and 5 mg/ml. 
NABNABN(A, B)N(A, B) is the number of unique experiments in which both component A and B were used. 
NCrystNCRYSTN(cryst)N(cryst) is the number of unique experiments which resulted in crystals. 
NABCrystNABCRYSTN(A, B, cryst)N(A, B, cryst) is the number of unique experiments in which both component A and B were used and which resulted in crystals. 
PABPABP(A, B)P(A, B) is the number of experiments in which both component A and B were used divided by the total number of experiments:
P(A,B) = N(A,B) / N. 
PCrystPCRYSTP(cryst)P(cryst) is the number of experiments which resulted in crystals divided by the total number of experiments:
P(cryst) = N(cryst) / N. 
PCrystIFABPCRYSTIFABP(cryst|AB)P(cryst|A, B) is the number of experiments which resulted in crystals and in which both components A and B were used divided by the number of experiments in which both components A and B were used:
P(cryst|A,B) = N(A,B,cryst) / N(A,B). 
ICrystICRYSTI(cryst)The I(cryst) score is defined as:
I(cryst) = (P(cryst|A,B) - P(cryst)) * P(A,B)
The I(cryst) score is positive if components A and B are positively correlated, negative, if they are negatively correlated and 0, if they are not correlated. The I score is symmetrical with respect to component A and B. In XtalBase the I score is multiplied with a factor (currently 1000). The I(cryst) score does not say anything about the significance of the correlation. The higher the number of experiments the more significant the I score. 
ShareSHARESharesThe Share field is used to give other users viewing or modifying rights for a certain object. Permissions can be given to specific users, to the group to which the object owner belongs to and to all users. 

Actions in the crystallization statistics table

IconDescription
view crystallization statistics
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