Volume 1 Chapter 5 1D Tests in Basic QUEST

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5.3 Guide to the Location of Search Details in Vol.2

INFORMATION TYPES                          (SUB-)MENU   KEYWORDS      SCREENS
 
Authors' Names                             TEXT         *AUTHOR
                                           TEXT         *SURNAME
 
Journal References                         NUMERIC      *CODEN
                                           TEXT         *VOLUME
                                           TEXT         *PAGE
                                           NUMERIC      *YEAR
Compilation References
   MSD Bibliographic References            NUMERIC      *MSDBIB
   CAS Registry Numbers                    NUMERIC      *CASNUMBER
   NBS Identification Numbers              NUMERIC      *NBSIDNUMBER
 
Chemical Name
   General Notes                           TEXT         *COMPOUND
                                           TEXT         *NAME
                                           TEXT         *SYNONYM
                                           TEXT         *XNAME
   Oligonucleotide Searches                TEXT         *COMPOUND      68
   Peptide Sequence Searches               SEARCH       *PEPTIDE       67
                                           SEARCH       *PEPTIDE-SEQ   67
 
Chemical Class                             NUMERIC      *CLASS         57
                                           NUMERIC      *BCLASS        57
 
Chemical Formula
  Maximum Atomic Number                    NUMERIC      *MAXATOMICNO
  Presence of Element Type(s)              SEARCH       *ELEMENT       1-31
                                           SEARCH       ELEMENTS       1-31
  Number of Chemical Residues              NUMERIC      *NRESIDUES
  Elemental Constitution of a Residue      SEARCH       *RESFORMULA
  Formula of a Residue                     SEARCH       FORMULAE
                                           SEARCH       *RESIDUE
  Total Formula Record                     TEXT         *FORMULA
  Formula Summed over All Residues         SEARCH       FORMULAE
                                           SEARCH       *SUMFORMULA
 
Characteristics of Unit Cell Reported by Author
  Crystal System                                                      102-109
  Lattice Type                             NUMERIC      *BRV1         110-117
  Space Group                              TEXT         *SPACEGROUP    94-101
                                           NUMERIC      *SPGNUMBER     94-101
  Z Value                                  NUMERIC      *ZVALUE
  Z' Value                                 NUMERIC      *ZPRIME
  Crystal Density (measured)               NUMERIC      *DENM
  Crystal Density (calculated)             NUMERIC      *DENX
  Crystal Density (calculated at CCDC)     NUMERIC      *DENC
 
INFORMATION TYPES                          (SUB-)MENU   KEYWORDS      SCREENS
 
Characteristics of Reduced Unit Cell
  Lattice Type                             NUMERIC      *BRV2          110-117
  Individual Reduced Cell Parameters       NUMERIC      *RCPn
  Reduced Cell Volume                      NUMERIC      *RCVOLUME
  Metric Class                             NUMERIC      *METRICCLASS
  Matching of Cell Dimensions              SEARCH       *nCELL
                                           SEARCH       REDUCED-CELLS
 
Experimental Data
  Temperature of Data Collection           NUMERIC      *TEMPERATURE   50
  Neutron Study                            TEXT         *QUALIFIER     49
  Powder Data                              TEXT         *QUALIFIER     47
  Polymorphic Form                         TEXT         *QUALIFIER     51
  Drug Activity                            TEXT         *QUALIFIER     52
  Absolute Configuration                   TEXT         *QUALIFIER     48
  Intensity Measurement Method             NUMERIC      *INTFLAG       78-81
  R-Factor                                 NUMERIC      *RFACTOR       87-92
  Average sigma(C-C)                       NUMERIC      *SIGFLAG       73-77
  Bond Lengths Corrected for Thermal Motion                            46
  Atomic Coordinates                       NUMERIC      *COORDINATES   56,153-154
 
Error Status
  Bond Length Analysis and Error Status    TEXT         *ERROR         32-34,37-44
  Connectivity Matching                    NUMERIC      *MATFLAG       82-86
 
Searching Combinations of Screens          SCREEN       *BTEST
 
Reference Code                             TEXT         *REFCODE
Previous Reference Code                    TEXT         *PREFCODE
 
Accession Date                             NUMERIC      *ADATE
Modification Date                          NUMERIC      *MDATE
 
Textual Comments
  General Remarks                          TEXT         *REMARKS
  Error Correction Comments                TEXT         *ERROR
  Chemical Connectivity Comments           TEXT         *CCOMMENT
  Disorder Comments                        TEXT         *DISORDER      35
  Crystal Properties                       TEXT         *PROPERTIES
  All Text Fields                          TEXT         *TEXT
 
Miscellaneous
  Batch Number                             NUMERIC      *BATCH
  Category Flag                            NUMERIC      *CATFLAG       66
  Bonding Tolerance                        NUMERIC      *TOLERANCE
  Size of Entries                          NUMERIC      *NW0n
  Presence or Absence of Fields                                        125-155
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Volume 1 Chapter 6 2D Searching Overview.