Data quality metrics extracted from 8q7s.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": "d068abe9dfb29b57ecd1f7d55467a567",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 66.235,
    "b": 100.836,
    "c": 192.173,
    "alpha": 90.00,
    "beta": 95.63,
    "gamma": 90.00
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.25,2.48],
    "number_observations_unique": 161468,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.14
      },
      {
        "type": "R(meas)",
        "value": 0.16899999999999998
      },
      {
        "type": "I/SigI",
        "value": 6.02
      },
      {
        "type": "Completeness",
        "value": 91.6
      },
      {
        "type": "Redundancy",
        "value": 3
      },
      {
        "type": "CC(1/2)",
        "value": 0.9890000000000001
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.63,2.48],
      "number_observations_unique": 22293,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.204
        },
        {
          "type": "R(meas)",
          "value": 1.516
        },
        {
          "type": "CC(1/2)",
          "value": 0.496
        }
      ]
    },
    {
      "resolution_limits": [2.81,2.63],
      "number_observations_unique": 23780,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.9179999999999999
        },
        {
          "type": "R(meas)",
          "value": 1.117
        },
        {
          "type": "CC(1/2)",
          "value": 0.624
        }
      ]
    },
    {
      "resolution_limits": [3.03,2.81],
      "number_observations_unique": 22899,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.573
        },
        {
          "type": "R(meas)",
          "value": 0.6970000000000001
        },
        {
          "type": "CC(1/2)",
          "value": 0.753
        }
      ]
    },
    {
      "resolution_limits": [3.32,3.03],
      "number_observations_unique": 21397,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.313
        },
        {
          "type": "R(meas)",
          "value": 0.38299999999999995
        },
        {
          "type": "CC(1/2)",
          "value": 0.894
        }
      ]
    },
    {
      "resolution_limits": [3.71,3.32],
      "number_observations_unique": 19705,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.17600000000000002
        },
        {
          "type": "R(meas)",
          "value": 0.212
        },
        {
          "type": "CC(1/2)",
          "value": 0.966
        }
      ]
    },
    {
      "resolution_limits": [4.28,3.71],
      "number_observations_unique": 17761,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.11699999999999999
        },
        {
          "type": "R(meas)",
          "value": 0.139
        },
        {
          "type": "CC(1/2)",
          "value": 0.988
        }
      ]
    },
    {
      "resolution_limits": [5.23,4.28],
      "number_observations_unique": 15107,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.087
        },
        {
          "type": "R(meas)",
          "value": 0.10400000000000001
        },
        {
          "type": "CC(1/2)",
          "value": 0.985
        }
      ]
    },
    {
      "resolution_limits": [7.35,5.23],
      "number_observations_unique": 11895,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.087
        },
        {
          "type": "R(meas)",
          "value": 0.10300000000000001
        },
        {
          "type": "CC(1/2)",
          "value": 0.986
        }
      ]
    }
  ]

}
  

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


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