Stocks

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The stocks database contains data on actual compounds as they are purchased or prepared in the lab. This database is under full control of the user and is not shared. Entries in the stocks database must refer to a compound entry. Whereas the compounds database makes sure that the components used in crystallization are well-defined and compatible for all users, it is the stocks database, which is used to build up a crystallization plate. Stocks belong to one or more of the following classes: 'precipitate', 'buffer', 'salt', 'additive', 'additive2', 'additive3', 'detergent', 'protein'. The class membership is decisive for how this stock is used in a crystallization experiment. Plates consist of wells (reservoirs and macromolecule solutions) containing certain volumes of stock solutions, which in turn are based on compounds. Every user has his/her own set of stocks whereas a compound can both be a standard or a user defined compound . You can edit the stock data as you wish, it may however be advisable to either copy initial parameters from the corresponding compound or from the default stocks. In case data can be copied from either of these two sources a red text will indicate this possibility together with a button that allows you to copy data.

Some stock parameters can be directly edited in list view.
In the display/edit view all parameters related to a stock solution can be edited.

view stocks

Fields in the stocks table

Key	Database field	Header	Description
NUMID	NUMID	NUMID	The numerical id.
ID	ID	Short name	The short name identifies the stock and is in many views used to refer to stocks.
Owner	OWNER	Owner	The owner of a stock is automatically set when the stock is created.
Dat	DAT	last update	The date on which the stock was last changed.
CASRegNR	CASREGNR	CAS registry number	This is the CAS (Chemical Abstracts Service) registry number of this entry. Although the CAS number of stocks can be copied from the compound that this stock is based it can be chosen independently from the compound definition.
CMPDID	CMPDID	Compound	This is the compound which the stock is based on.
Classes	CLASSES	Component classes	The stock classes describe the function of the corresponding component in the crystallization drop. A stock can belong to more than one class.
Name	NAME	Full name	The full name of the stock.
Alias	ALIAS	Alias	This field contains alternative names of the stock.
ProtBatch	PROTBATCH	Protein batch	This fields is only relevant for protein stocks. It refers to the protein batch from which this solution is prepared.
Notes	NOTES	Notes	This field contains any kind of information relevant for the stock.
Formula	FORMULA	Formula	The stock formula may only contain alphanumerical characters and brackets. The formula can be used to calculate the molecular weight.
MolecularWeight	MOLWEIGHT	Molecular weight [g/mol]	The molecular weight of the stock in g/mol. The molecular weight can be calculated from the formula.
NSolComp	NSOLCOMP	Number of components in solution	The number of components in solution is used to calculate the vapor pressure of the drop versus the vapor pressure of the reservoir.
Conc	CONC	Conc.	The concentration is either measured in Molar (M), weight/volume % (% w/v), volume/volume % (% v/v ), or milligram per milliliter (mg/ml). See also the 'Conc. unit' field.
Unit	UNIT	Conc. unit	The stock concentration can be measured either in Molar (M), in weight/volume % (% w/v), in volume/volume % (% v/v ), or in milligram per milliliter (mg/ml).
Volume	VOLUME	Stock volume [ml]	The volume of the stock solution.
MinConc	MINCONC	Min. conc.	The stock minimum concentration is the lowest possible concentration of this stock when the stock is chosen by random.
MaxConc	MAXCONC	Max. conc.	The stock maximum concentration is the highest possible concentration of this stock when the stock is chosen by random.
LowPH	LOWPH	Min. pH	The minimum pH is the lowest possible pH of this stock when the stock is chosen by random. This parameter is only used when the stock is used as buffer.
HighPH	HIGHPH	Max. pH	The maximum pH is the lowest possible pH of this stock when the stock is chosen by random. This parameter is only used when the stock is used as buffer.
Density	DENSITY	Density [g/ml] (pure compound)	The density is used to transform % (w/v) concentrations into % (v/v) concentrations and vice versa.
Solubility	SOLUBILITY	Solubility [g/ml]	The solubility of the stock component in [g/ml] units.
Available	AVAILABLE	Available	This field indicates whether the material which is used to prepare the stock solution is available to the user.
Share	SHARE	Shares	The 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.
Viscosity	VISCOSITY	Viscosity	The viscosity field is currently not used but is reserved for future use.

Actions in the stocks table

Icon	Description
	display (and edit) the stock
	create a new stock
	copy the current stock
	view stocks
	delete the stock
	update the stock

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