Data quality metrics extracted from 4oo8.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.2",
  "uuid": "b78d051b17e582655799e3e1ff903b8c",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 76.713,
    "b": 105.694,
    "c": 126.817,
    "alpha": 97.68,
    "beta": 98.43,
    "gamma": 100.31
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [46.883,2.500],
    "number_observations_unique": 130485,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.063
      },
      {
        "type": "I/SigI",
        "value": 25.270
      },
      {
        "type": "Completeness",
        "value": 98.200
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.650,2.500],
      "number_observations": 162724,
      "number_observations_unique": 20643,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.1
        },
        {
          "type": "R(meas)",
          "value": 1.134
        },
        {
          "type": "I/SigI",
          "value": 2.100
        },
        {
          "type": "Completeness",
          "value": 96.200
        }
      ]
    },
    {
      "resolution_limits": [2.830,2.650],
      "number_observations": 157439,
      "number_observations_unique": 19729,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.1
        },
        {
          "type": "R(meas)",
          "value": 0.618
        },
        {
          "type": "I/SigI",
          "value": 3.840
        },
        {
          "type": "Completeness",
          "value": 98.200
        }
      ]
    },
    {
      "resolution_limits": [3.060,2.830],
      "number_observations": 146879,
      "number_observations_unique": 18394,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.1
        },
        {
          "type": "R(meas)",
          "value": 0.339
        },
        {
          "type": "I/SigI",
          "value": 6.820
        },
        {
          "type": "Completeness",
          "value": 98.400
        }
      ]
    },
    {
      "resolution_limits": [3.350,3.060],
      "number_observations": 135577,
      "number_observations_unique": 16991,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.1
        },
        {
          "type": "R(meas)",
          "value": 0.151
        },
        {
          "type": "I/SigI",
          "value": 14.260
        },
        {
          "type": "Completeness",
          "value": 98.700
        }
      ]
    },
    {
      "resolution_limits": [3.740,3.350],
      "number_observations": 122534,
      "number_observations_unique": 15396,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.1
        },
        {
          "type": "R(meas)",
          "value": 0.076
        },
        {
          "type": "I/SigI",
          "value": 27.360
        },
        {
          "type": "Completeness",
          "value": 98.900
        }
      ]
    },
    {
      "resolution_limits": [4.320,3.740],
      "number_observations": 107833,
      "number_observations_unique": 13585,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.1
        },
        {
          "type": "R(meas)",
          "value": 0.042
        },
        {
          "type": "I/SigI",
          "value": 45.730
        },
        {
          "type": "Completeness",
          "value": 99.100
        }
      ]
    },
    {
      "resolution_limits": [5.280,4.320],
      "number_observations": 91541,
      "number_observations_unique": 11588,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.1
        },
        {
          "type": "R(meas)",
          "value": 0.030
        },
        {
          "type": "I/SigI",
          "value": 62.670
        },
        {
          "type": "Completeness",
          "value": 99.300
        }
      ]
    },
    {
      "resolution_limits": [7.410,5.280],
      "number_observations": 70273,
      "number_observations_unique": 8959,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.1
        },
        {
          "type": "R(meas)",
          "value": 0.027
        },
        {
          "type": "I/SigI",
          "value": 67.800
        },
        {
          "type": "Completeness",
          "value": 99.400
        }
      ]
    },
    {
      "resolution_limits": [46.883,7.410],
      "number_observations": 37075,
      "number_observations_unique": 4896,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.1
        },
        {
          "type": "R(meas)",
          "value": 0.019
        },
        {
          "type": "I/SigI",
          "value": 87.060
        },
        {
          "type": "Completeness",
          "value": 96.400
        }
      ]
    }
  ]

}
  

Table 1 generated from MXLIMS-JSON (via JavaScript):


Binned data generated from MXLIMS-JSON (via JavaScript):