PDBx:phasing_MAD_setType

<xsd:complexType name="phasing_MAD_setType">
  <xsd:annotation>
    <xsd:documentation xml:lang="en">Data items in the PHASING_MAD_SET category record details about the individual data sets used in a MAD phasing experiment. Example 1 - based on a paper by Shapiro et al. [Nature (London) (1995), 374, 327-337]. <PDBx:phasing_MAD_setCategory> <PDBx:phasing_MAD_set clust_id="4 wavelength" expt_id="1" set_id="aa" wavelength="1.4013"> <PDBx:d_res_high>3.00</PDBx:d_res_high> <PDBx:d_res_low>20.00</PDBx:d_res_low> <PDBx:f_double_prime>3.80</PDBx:f_double_prime> <PDBx:f_prime>-12.48</PDBx:f_prime> <PDBx:wavelength_details>pre-edge</PDBx:wavelength_details> </PDBx:phasing_MAD_set> <PDBx:phasing_MAD_set clust_id="4 wavelength" expt_id="1" set_id="bb" wavelength="1.3857"> <PDBx:d_res_high>3.00</PDBx:d_res_high> <PDBx:d_res_low>20.00</PDBx:d_res_low> <PDBx:f_double_prime>17.20</PDBx:f_double_prime> <PDBx:f_prime>-31.22</PDBx:f_prime> <PDBx:wavelength_details>peak</PDBx:wavelength_details> </PDBx:phasing_MAD_set> <PDBx:phasing_MAD_set clust_id="4 wavelength" expt_id="1" set_id="cc" wavelength="1.3852"> <PDBx:d_res_high>3.00</PDBx:d_res_high> <PDBx:d_res_low>20.00</PDBx:d_res_low> <PDBx:f_double_prime>29.17</PDBx:f_double_prime> <PDBx:f_prime>-13.97</PDBx:f_prime> <PDBx:wavelength_details>edge</PDBx:wavelength_details> </PDBx:phasing_MAD_set> <PDBx:phasing_MAD_set clust_id="4 wavelength" expt_id="1" set_id="dd" wavelength="1.3847"> <PDBx:d_res_high>3.00</PDBx:d_res_high> <PDBx:d_res_low>20.00</PDBx:d_res_low> <PDBx:f_double_prime>17.34</PDBx:f_double_prime> <PDBx:f_prime>-6.67</PDBx:f_prime> <PDBx:wavelength_details>remote</PDBx:wavelength_details> </PDBx:phasing_MAD_set> <PDBx:phasing_MAD_set clust_id="5 wavelength" expt_id="1" set_id="ee" wavelength="1.3857"> <PDBx:d_res_high>3.00</PDBx:d_res_high> <PDBx:d_res_low>20.00</PDBx:d_res_low> <PDBx:f_double_prime>14.84</PDBx:f_double_prime> <PDBx:f_prime>-28.33</PDBx:f_prime> <PDBx:wavelength_details>ascending edge</PDBx:wavelength_details> </PDBx:phasing_MAD_set> <PDBx:phasing_MAD_set clust_id="5 wavelength" expt_id="1" set_id="ff" wavelength="1.3852"> <PDBx:d_res_high>3.00</PDBx:d_res_high> <PDBx:d_res_low>20.00</PDBx:d_res_low> <PDBx:f_double_prime>30.23</PDBx:f_double_prime> <PDBx:f_prime>-21.50</PDBx:f_prime> <PDBx:wavelength_details>peak</PDBx:wavelength_details> </PDBx:phasing_MAD_set> <PDBx:phasing_MAD_set clust_id="5 wavelength" expt_id="1" set_id="gg" wavelength="1.3847"> <PDBx:d_res_high>3.00</PDBx:d_res_high> <PDBx:d_res_low>20.00</PDBx:d_res_low> <PDBx:f_double_prime>20.35</PDBx:f_double_prime> <PDBx:f_prime>-10.71</PDBx:f_prime> <PDBx:wavelength_details>descending edge</PDBx:wavelength_details> </PDBx:phasing_MAD_set> <PDBx:phasing_MAD_set clust_id="5 wavelength" expt_id="1" set_id="hh" wavelength="1.3784"> <PDBx:d_res_high>3.00</PDBx:d_res_high> <PDBx:d_res_low>20.00</PDBx:d_res_low> <PDBx:f_double_prime>11.84</PDBx:f_double_prime> <PDBx:f_prime>-14.45</PDBx:f_prime> <PDBx:wavelength_details>remote 1</PDBx:wavelength_details> </PDBx:phasing_MAD_set> <PDBx:phasing_MAD_set clust_id="5 wavelength" expt_id="1" set_id="ii" wavelength="1.2862"> <PDBx:d_res_high>3.00</PDBx:d_res_high> <PDBx:d_res_low>20.00</PDBx:d_res_low> <PDBx:f_double_prime>9.01</PDBx:f_double_prime> <PDBx:f_prime>-9.03</PDBx:f_prime> <PDBx:wavelength_details>remote 2</PDBx:wavelength_details> </PDBx:phasing_MAD_set> <PDBx:phasing_MAD_set clust_id="5 wavelength" expt_id="2" set_id="jj" wavelength="0.7263"> <PDBx:d_res_high>1.90</PDBx:d_res_high> <PDBx:d_res_low>15.00</PDBx:d_res_low> <PDBx:f_double_prime>4.08</PDBx:f_double_prime> <PDBx:f_prime>-21.10</PDBx:f_prime> <PDBx:wavelength_details>pre-edge</PDBx:wavelength_details> </PDBx:phasing_MAD_set> <PDBx:phasing_MAD_set clust_id="5 wavelength" expt_id="2" set_id="kk" wavelength="0.7251"> <PDBx:d_res_high>1.90</PDBx:d_res_high> <PDBx:d_res_low>15.00</PDBx:d_res_low> <PDBx:f_double_prime>7.92</PDBx:f_double_prime> <PDBx:f_prime>-34.72</PDBx:f_prime> <PDBx:wavelength_details>edge</PDBx:wavelength_details> </PDBx:phasing_MAD_set> <PDBx:phasing_MAD_set clust_id="5 wavelength" expt_id="2" set_id="ll" wavelength="0.7248"> <PDBx:d_res_high>1.90</PDBx:d_res_high> <PDBx:d_res_low>15.00</PDBx:d_res_low> <PDBx:f_double_prime>10.30</PDBx:f_double_prime> <PDBx:f_prime>-24.87</PDBx:f_prime> <PDBx:wavelength_details>peak</PDBx:wavelength_details> </PDBx:phasing_MAD_set> <PDBx:phasing_MAD_set clust_id="5 wavelength" expt_id="2" set_id="mm" wavelength="0.7246"> <PDBx:d_res_high>1.90</PDBx:d_res_high> <PDBx:d_res_low>15.00</PDBx:d_res_low> <PDBx:f_double_prime>9.62</PDBx:f_double_prime> <PDBx:f_prime>-17.43</PDBx:f_prime> <PDBx:wavelength_details>descending edge</PDBx:wavelength_details> </PDBx:phasing_MAD_set> <PDBx:phasing_MAD_set clust_id="5 wavelength" expt_id="2" set_id="nn" wavelength="0.7217"> <PDBx:d_res_high>1.90</PDBx:d_res_high> <PDBx:d_res_low>15.00</PDBx:d_res_low> <PDBx:f_double_prime>8.40</PDBx:f_double_prime> <PDBx:f_prime>-13.26</PDBx:f_prime> <PDBx:wavelength_details>remote</PDBx:wavelength_details> </PDBx:phasing_MAD_set> </PDBx:phasing_MAD_setCategory></xsd:documentation>
  </xsd:annotation>
  <xsd:sequence>
    <xsd:element name="phasing_MAD_set" minOccurs="0" maxOccurs="unbounded">
      <xsd:complexType>
        <xsd:all>
          <xsd:element name="d_res_high" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:decimal">
            <xsd:annotation>
              <xsd:documentation xml:lang="en">The lowest value for the interplanar spacings for the reflection data used for this set of data. This is called the highest resolution.</xsd:documentation>
            </xsd:annotation>
          </xsd:element>
          <xsd:element name="d_res_low" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:decimal">
            <xsd:annotation>
              <xsd:documentation xml:lang="en">The highest value for the interplanar spacings for the reflection data used for this set of data. This is called the lowest resolution.</xsd:documentation>
            </xsd:annotation>
          </xsd:element>
          <xsd:element name="f_double_prime" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:decimal">
            <xsd:annotation>
              <xsd:documentation xml:lang="en">The f'' component of the anomalous scattering factor for this wavelength.</xsd:documentation>
            </xsd:annotation>
          </xsd:element>
          <xsd:element name="f_prime" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:decimal">
            <xsd:annotation>
              <xsd:documentation xml:lang="en">The f' component of the anomalous scattering factor for this wavelength.</xsd:documentation>
            </xsd:annotation>
          </xsd:element>
          <xsd:element name="pdbx_atom_type" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:string">
            <xsd:annotation>
              <xsd:documentation xml:lang="en">record the type of heavy atoms which produce anomolous singal.</xsd:documentation>
            </xsd:annotation>
          </xsd:element>
          <xsd:element name="pdbx_f_double_prime_refined" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:decimal">
            <xsd:annotation>
              <xsd:documentation xml:lang="en">record the refined f_double_prime (not from experiment).</xsd:documentation>
            </xsd:annotation>
          </xsd:element>
          <xsd:element name="pdbx_f_prime_refined" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:decimal">
            <xsd:annotation>
              <xsd:documentation xml:lang="en">record the refined f_prime (not from experiment).</xsd:documentation>
            </xsd:annotation>
          </xsd:element>
          <xsd:element name="wavelength_details" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:string">
            <xsd:annotation>
              <xsd:documentation xml:lang="en">A descriptor for this wavelength in this cluster of data sets. peak remote ascending edge</xsd:documentation>
            </xsd:annotation>
          </xsd:element>
        </xsd:all>
        <xsd:attribute name="clust_id" use="required" type="xsd:string">
          <xsd:annotation>
            <xsd:documentation xml:lang="en">This data item is a pointer to attribute id in category phasing_MAD_clust in the PHASING_MAD_CLUST category.</xsd:documentation>
          </xsd:annotation>
        </xsd:attribute>
        <xsd:attribute name="expt_id" use="required" type="xsd:string">
          <xsd:annotation>
            <xsd:documentation xml:lang="en">This data item is a pointer to attribute id in category phasing_MAD_expt in the PHASING_MAD_EXPT category.</xsd:documentation>
          </xsd:annotation>
        </xsd:attribute>
        <xsd:attribute name="set_id" use="required" type="xsd:string">
          <xsd:annotation>
            <xsd:documentation xml:lang="en">This data item is a pointer to attribute id in category phasing_set in the PHASING_SET category.</xsd:documentation>
          </xsd:annotation>
        </xsd:attribute>
        <xsd:attribute name="wavelength" use="required" type="xsd:decimal">
          <xsd:annotation>
            <xsd:documentation xml:lang="en">The wavelength at which this data set was measured.</xsd:documentation>
          </xsd:annotation>
        </xsd:attribute>
      </xsd:complexType>
    </xsd:element>
  </xsd:sequence>
</xsd:complexType>