Data quality metrics extracted from 8sgd.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": "a99089e5f242de1499462f17d09f1d1b",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 58.277,
    "b": 154.271,
    "c": 156.264,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97718],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.0,2.66],
    "number_observations_unique": 40940,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.42100000000000004
      },
      {
        "type": "R(meas)",
        "value": 0.43799999999999994
      },
      {
        "type": "I/SigI",
        "value": 8.23
      },
      {
        "type": "Completeness",
        "value": 99.2
      },
      {
        "type": "Redundancy",
        "value": 10.03
      },
      {
        "type": "CC(1/2)",
        "value": 0.995
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.82,2.66],
      "number_observations_unique": 6435,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.9010000000000002
        },
        {
          "type": "R(meas)",
          "value": 3.0180000000000002
        },
        {
          "type": "Completeness",
          "value": 98.5
        },
        {
          "type": "CC(1/2)",
          "value": 0.47100000000000003
        }
      ]
    },
    {
      "resolution_limits": [3.02,2.82],
      "number_observations_unique": 6132,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.982
        },
        {
          "type": "R(meas)",
          "value": 2.0669999999999997
        },
        {
          "type": "CC(1/2)",
          "value": 0.6779999999999999
        }
      ]
    },
    {
      "resolution_limits": [3.26,3.02],
      "number_observations_unique": 5723,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.2990000000000002
        },
        {
          "type": "R(meas)",
          "value": 1.3530000000000002
        },
        {
          "type": "CC(1/2)",
          "value": 0.841
        }
      ]
    },
    {
      "resolution_limits": [3.57,3.26],
      "number_observations_unique": 5268,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.818
        },
        {
          "type": "R(meas)",
          "value": 0.8490000000000001
        },
        {
          "type": "CC(1/2)",
          "value": 0.9590000000000001
        }
      ]
    },
    {
      "resolution_limits": [3.99,3.57],
      "number_observations_unique": 4820,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.54
        },
        {
          "type": "R(meas)",
          "value": 0.561
        },
        {
          "type": "CC(1/2)",
          "value": 0.982
        }
      ]
    },
    {
      "resolution_limits": [4.6,3.99],
      "number_observations_unique": 4302,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.33799999999999997
        },
        {
          "type": "R(meas)",
          "value": 0.35200000000000004
        },
        {
          "type": "CC(1/2)",
          "value": 0.991
        }
      ]
    },
    {
      "resolution_limits": [5.62,4.60],
      "number_observations_unique": 3615,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.23
        },
        {
          "type": "R(meas)",
          "value": 0.242
        },
        {
          "type": "CC(1/2)",
          "value": 0.99
        }
      ]
    },
    {
      "resolution_limits": [7.9,5.62],
      "number_observations_unique": 2903,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.175
        },
        {
          "type": "R(meas)",
          "value": 0.182
        },
        {
          "type": "CC(1/2)",
          "value": 0.993
        }
      ]
    },
    {
      "resolution_limits": [50.0,7.90],
      "number_observations_unique": 1742,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.068
        },
        {
          "type": "R(meas)",
          "value": 0.071
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    }
  ]

}
  

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


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