java.lang.Object
- org.rcsb.cif.model.BaseCategory
- - org.rcsb.cif.model.generated.RefineHist

All Implemented Interfaces:

Category
```
@Generated("org.rcsb.cif.generator.SchemaGenerator")
public class RefineHist
extends BaseCategory
```
Data items in the REFINE_HIST category record details about the steps during the refinement of the structure. These data items are not meant to be as thorough a description of the refinement as is provided for the final model in other categories; rather, these data items provide a mechanism for sketching out the progress of the refinement, supported by a small set of representative statistics.

Field Summary
- Fields inherited from class org.rcsb.cif.model.BaseCategory
  isText, textFields

Constructor Summary

Constructors
Constructor	Description
`RefineHist(String name)`
`RefineHist(String name, int rowCount, Object[] encodedColumns)`
`RefineHist(String name, Map<String,Column> columns)`

Method Summary

All Methods Instance Methods Concrete Methods
Modifier and Type	Method	Description
`StrColumn`	`getCycleId()`	The value of _refine_hist.cycle_id must uniquely identify a record in the REFINE_HIST list.
`StrColumn`	`getDetails()`	A description of special aspects of this cycle of the refinement process.
`FloatColumn`	`getDResHigh()`	The lowest value for the interplanar spacings for the reflection data for this cycle of refinement.
`FloatColumn`	`getDResLow()`	The highest value for the interplanar spacings for the reflection data for this cycle of refinement.
`IntColumn`	`getNumberAtomsSolvent()`	The number of solvent atoms that were included in the model at this cycle of the refinement.
`IntColumn`	`getNumberAtomsTotal()`	The total number of atoms that were included in the model at this cycle of the refinement.
`IntColumn`	`getNumberReflnsAll()`	The number of reflections that satisfy the resolution limits established by _refine_hist.d_res_high and _refine_hist.d_res_low.
`IntColumn`	`getNumberReflnsObs()`	The number of reflections that satisfy the resolution limits established by _refine_hist.d_res_high and _refine_hist.d_res_low and the observation criterion established by _reflns.observed_criterion.
`IntColumn`	`getNumberReflnsRFree()`	The number of reflections that satisfy the resolution limits established by _refine_hist.d_res_high and _refine_hist.d_res_low and the observation limit established by _reflns.observed_criterion, and that were used as the test reflections (i.e.
`IntColumn`	`getNumberReflnsRWork()`	The number of reflections that satisfy the resolution limits established by _refine_hist.d_res_high and _refine_hist.d_res_low and the observation limit established by _reflns.observed_criterion, and that were used as the working reflections (i.e.
`FloatColumn`	`getPdbxBIsoMeanLigand()`	Mean isotropic B-value for ligand molecules included in refinement.
`FloatColumn`	`getPdbxBIsoMeanSolvent()`	Mean isotropic B-value for solvent molecules included in refinement.
`IntColumn`	`getPdbxNumberAtomsCarb()`	Number of carbohydrate atoms included in refinement
`IntColumn`	`getPdbxNumberAtomsLigand()`	Number of ligand atoms included in refinement
`IntColumn`	`getPdbxNumberAtomsLipid()`	Number of lipid atoms included in refinement
`IntColumn`	`getPdbxNumberAtomsNucleicAcid()`	Number of nucleic atoms included in refinement
`IntColumn`	`getPdbxNumberAtomsProtein()`	Number of protein atoms included in refinement
`IntColumn`	`getPdbxNumberAtomsSolvent()`	Number of solvent atoms used in refinement
`IntColumn`	`getPdbxNumberAtomsTotal()`	Number of atoms used in refinement
`IntColumn`	`getPdbxNumberResiduesTotal()`	Total number of polymer residues included in refinement.
`StrColumn`	`getPdbxPseudoAtomDetails()`	Details of pseduo atoms used to model unexplained density
`StrColumn`	`getPdbxRefineId()`	This data item uniquely identifies a refinement within an entry.
`FloatColumn`	`getRFactorAll()`	Residual factor R for reflections that satisfy the resolution limits established by _refine_hist.d_res_high and _refine_hist.d_res_low.
`FloatColumn`	`getRFactorObs()`	Residual factor R for reflections that satisfy the resolution limits established by _refine_hist.d_res_high and _refine_hist.d_res_low and the observation criterion established by _reflns.observed_criterion.
`FloatColumn`	`getRFactorRFree()`	Residual factor R for reflections that satisfy the resolution limits established by _refine_hist.d_res_high and _refine_hist.d_res_low and the observation limit established by _reflns.observed_criterion, and that were used as the test reflections (i.e.
`FloatColumn`	`getRFactorRWork()`	Residual factor R for reflections that satisfy the resolution limits established by _refine_hist.d_res_high and _refine_hist.d_res_low and the observation limit established by _reflns.observed_criterion, and that were used as the working reflections (i.e.

Methods inherited from class org.rcsb.cif.model.BaseCategory
getBinaryColumn, getCategoryName, getColumn, getColumnNames, getRowCount, isDefined

Methods inherited from class java.lang.Object
clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

Methods inherited from interface org.rcsb.cif.model.Category
columnNames, columns, get

- Constructor Detail
  - RefineHist
```
public RefineHist(String name,
                  Map<String,Column> columns)
```
  - RefineHist
```
public RefineHist(String name,
                  int rowCount,
                  Object[] encodedColumns)
```
  - RefineHist
```
public RefineHist(String name)
```
- Method Detail
  - getPdbxRefineId
```
public StrColumn getPdbxRefineId()
```
    This data item uniquely identifies a refinement within an entry. _refine_hist.pdbx_refine_id can be used to distinguish the results of joint refinements.
    
    Returns:
    
    StrColumn
  - getCycleId
```
public StrColumn getCycleId()
```
    The value of _refine_hist.cycle_id must uniquely identify a record in the REFINE_HIST list. Note that this item need not be a number; it can be any unique identifier.
    
    Returns:
    
    StrColumn
  - getDetails
```
public StrColumn getDetails()
```
    A description of special aspects of this cycle of the refinement process.
    
    Returns:
    
    StrColumn
  - getDResHigh
```
public FloatColumn getDResHigh()
```
    The lowest value for the interplanar spacings for the reflection data for this cycle of refinement. This is called the highest resolution.
    
    Returns:
    
    FloatColumn
  - getDResLow
```
public FloatColumn getDResLow()
```
    The highest value for the interplanar spacings for the reflection data for this cycle of refinement. This is called the lowest resolution.
    
    Returns:
    
    FloatColumn
  - getNumberAtomsSolvent
```
public IntColumn getNumberAtomsSolvent()
```
    The number of solvent atoms that were included in the model at this cycle of the refinement.
    
    Returns:
    
    IntColumn
  - getNumberAtomsTotal
```
public IntColumn getNumberAtomsTotal()
```
    The total number of atoms that were included in the model at this cycle of the refinement.
    
    Returns:
    
    IntColumn
  - getNumberReflnsAll
```
public IntColumn getNumberReflnsAll()
```
    The number of reflections that satisfy the resolution limits established by _refine_hist.d_res_high and _refine_hist.d_res_low.
    
    Returns:
    
    IntColumn
  - getNumberReflnsObs
```
public IntColumn getNumberReflnsObs()
```
    The number of reflections that satisfy the resolution limits established by _refine_hist.d_res_high and _refine_hist.d_res_low and the observation criterion established by _reflns.observed_criterion.
    
    Returns:
    
    IntColumn
  - getNumberReflnsRFree
```
public IntColumn getNumberReflnsRFree()
```
    The number of reflections that satisfy the resolution limits established by _refine_hist.d_res_high and _refine_hist.d_res_low and the observation limit established by _reflns.observed_criterion, and that were used as the test reflections (i.e. were excluded from the refinement) when the refinement included the calculation of a 'free' R factor. Details of how reflections were assigned to the working and test sets are given in _reflns.R_free_details.
    
    Returns:
    
    IntColumn
  - getNumberReflnsRWork
```
public IntColumn getNumberReflnsRWork()
```
    The number of reflections that satisfy the resolution limits established by _refine_hist.d_res_high and _refine_hist.d_res_low and the observation limit established by _reflns.observed_criterion, and that were used as the working reflections (i.e. were included in the refinement) when the refinement included the calculation of a 'free' R factor. Details of how reflections were assigned to the working and test sets are given in _reflns.R_free_details.
    
    Returns:
    
    IntColumn
  - getRFactorAll
```
public FloatColumn getRFactorAll()
```
    Residual factor R for reflections that satisfy the resolution limits established by _refine_hist.d_res_high and _refine_hist.d_res_low. sum|F~obs~ - F~calc~| R = --------------------- sum|F~obs~| F~obs~ = the observed structure-factor amplitudes F~calc~ = the calculated structure-factor amplitudes sum is taken over the specified reflections
    
    Returns:
    
    FloatColumn
  - getRFactorObs
```
public FloatColumn getRFactorObs()
```
    Residual factor R for reflections that satisfy the resolution limits established by _refine_hist.d_res_high and _refine_hist.d_res_low and the observation criterion established by _reflns.observed_criterion. sum|F~obs~ - F~calc~| R = --------------------- sum|F~obs~| F~obs~ = the observed structure-factor amplitudes F~calc~ = the calculated structure-factor amplitudes sum is taken over the specified reflections
    
    Returns:
    
    FloatColumn
  - getRFactorRFree
```
public FloatColumn getRFactorRFree()
```
    Residual factor R for reflections that satisfy the resolution limits established by _refine_hist.d_res_high and _refine_hist.d_res_low and the observation limit established by _reflns.observed_criterion, and that were used as the test reflections (i.e. were excluded from the refinement) when the refinement included the calculation of a 'free' R factor. Details of how reflections were assigned to the working and test sets are given in _reflns.R_free_details. sum|F~obs~ - F~calc~| R = --------------------- sum|F~obs~| F~obs~ = the observed structure-factor amplitudes F~calc~ = the calculated structure-factor amplitudes sum is taken over the specified reflections
    
    Returns:
    
    FloatColumn
  - getRFactorRWork
```
public FloatColumn getRFactorRWork()
```
    Residual factor R for reflections that satisfy the resolution limits established by _refine_hist.d_res_high and _refine_hist.d_res_low and the observation limit established by _reflns.observed_criterion, and that were used as the working reflections (i.e. were included in the refinement) when the refinement included the calculation of a 'free' R factor. Details of how reflections were assigned to the working and test sets are given in _reflns.R_free_details. sum|F~obs~ - F~calc~| R = --------------------- sum|F~obs~| F~obs~ = the observed structure-factor amplitudes F~calc~ = the calculated structure-factor amplitudes sum is taken over the specified reflections
    
    Returns:
    
    FloatColumn
  - getPdbxNumberResiduesTotal
```
public IntColumn getPdbxNumberResiduesTotal()
```
    Total number of polymer residues included in refinement.
    
    Returns:
    
    IntColumn
  - getPdbxBIsoMeanLigand
```
public FloatColumn getPdbxBIsoMeanLigand()
```
    Mean isotropic B-value for ligand molecules included in refinement.
    
    Returns:
    
    FloatColumn
  - getPdbxBIsoMeanSolvent
```
public FloatColumn getPdbxBIsoMeanSolvent()
```
    Mean isotropic B-value for solvent molecules included in refinement.
    
    Returns:
    
    FloatColumn
  - getPdbxNumberAtomsProtein
```
public IntColumn getPdbxNumberAtomsProtein()
```
    Number of protein atoms included in refinement
    
    Returns:
    
    IntColumn
  - getPdbxNumberAtomsNucleicAcid
```
public IntColumn getPdbxNumberAtomsNucleicAcid()
```
    Number of nucleic atoms included in refinement
    
    Returns:
    
    IntColumn
  - getPdbxNumberAtomsLigand
```
public IntColumn getPdbxNumberAtomsLigand()
```
    Number of ligand atoms included in refinement
    
    Returns:
    
    IntColumn
  - getPdbxNumberAtomsLipid
```
public IntColumn getPdbxNumberAtomsLipid()
```
    Number of lipid atoms included in refinement
    
    Returns:
    
    IntColumn
  - getPdbxNumberAtomsCarb
```
public IntColumn getPdbxNumberAtomsCarb()
```
    Number of carbohydrate atoms included in refinement
    
    Returns:
    
    IntColumn
  - getPdbxPseudoAtomDetails
```
public StrColumn getPdbxPseudoAtomDetails()
```
    Details of pseduo atoms used to model unexplained density
    
    Returns:
    
    StrColumn
  - getPdbxNumberAtomsSolvent
```
public IntColumn getPdbxNumberAtomsSolvent()
```
    Number of solvent atoms used in refinement
    
    Returns:
    
    IntColumn
  - getPdbxNumberAtomsTotal
```
public IntColumn getPdbxNumberAtomsTotal()
```
    Number of atoms used in refinement
    
    Returns:
    
    IntColumn

Class RefineHist

Field Summary

Fields inherited from class org.rcsb.cif.model.BaseCategory

Constructor Summary

Method Summary

Methods inherited from class org.rcsb.cif.model.BaseCategory

Methods inherited from class java.lang.Object

Methods inherited from interface org.rcsb.cif.model.Category

Constructor Detail

RefineHist

RefineHist

RefineHist

Method Detail

getPdbxRefineId

getCycleId

getDetails

getDResHigh

getDResLow

getNumberAtomsSolvent

getNumberAtomsTotal

getNumberReflnsAll

getNumberReflnsObs

getNumberReflnsRFree

getNumberReflnsRWork

getRFactorAll

getRFactorObs

getRFactorRFree

getRFactorRWork

getPdbxNumberResiduesTotal

getPdbxBIsoMeanLigand

getPdbxBIsoMeanSolvent

getPdbxNumberAtomsProtein

getPdbxNumberAtomsNucleicAcid

getPdbxNumberAtomsLigand

getPdbxNumberAtomsLipid

getPdbxNumberAtomsCarb

getPdbxPseudoAtomDetails

getPdbxNumberAtomsSolvent

getPdbxNumberAtomsTotal