Data quality metrics extracted from 8c25.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": "2c7c9c5dc7c87d316eaddb7e8a1d431c",
  "space_group_name": "P 21 3",
  "unit_cell": {
    "a": 125.12,
    "b": 125.12,
    "c": 125.12,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.91800],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,1.56],
    "number_observations_unique": 180675,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.264
      },
      {
        "type": "R(meas)",
        "value": 0.271
      },
      {
        "type": "I/SigI",
        "value": 12.83
      },
      {
        "type": "Completeness",
        "value": 99.8
      },
      {
        "type": "Redundancy",
        "value": 19.2
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.65,1.56],
      "number_observations_unique": 29016,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.7289999999999996
        },
        {
          "type": "R(meas)",
          "value": 2.842
        },
        {
          "type": "CC(1/2)",
          "value": 0.397
        }
      ]
    },
    {
      "resolution_limits": [1.77,1.65],
      "number_observations_unique": 27479,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.776
        },
        {
          "type": "R(meas)",
          "value": 1.821
        },
        {
          "type": "CC(1/2)",
          "value": 0.764
        }
      ]
    },
    {
      "resolution_limits": [1.91,1.77],
      "number_observations_unique": 25541,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.173
        },
        {
          "type": "R(meas)",
          "value": 1.203
        },
        {
          "type": "CC(1/2)",
          "value": 0.9009999999999999
        }
      ]
    },
    {
      "resolution_limits": [2.09,1.91],
      "number_observations_unique": 23588,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.7
        },
        {
          "type": "R(meas)",
          "value": 0.718
        },
        {
          "type": "CC(1/2)",
          "value": 0.9670000000000001
        }
      ]
    },
    {
      "resolution_limits": [2.33,2.09],
      "number_observations_unique": 21301,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.449
        },
        {
          "type": "R(meas)",
          "value": 0.461
        },
        {
          "type": "CC(1/2)",
          "value": 0.987
        }
      ]
    },
    {
      "resolution_limits": [2.69,2.33],
      "number_observations_unique": 18767,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.29600000000000004
        },
        {
          "type": "R(meas)",
          "value": 0.303
        },
        {
          "type": "CC(1/2)",
          "value": 0.9940000000000001
        }
      ]
    },
    {
      "resolution_limits": [3.3,2.69],
      "number_observations_unique": 15915,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.153
        },
        {
          "type": "R(meas)",
          "value": 0.157
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [4.65,3.30],
      "number_observations_unique": 12272,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.073
        },
        {
          "type": "R(meas)",
          "value": 0.075
        },
        {
          "type": "CC(1/2)",
          "value": 0.9990000000000001
        }
      ]
    },
    {
      "resolution_limits": [4.673,4.65],
      "number_observations_unique": 6796,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.054000000000000006
        },
        {
          "type": "R(meas)",
          "value": 0.055999999999999994
        },
        {
          "type": "CC(1/2)",
          "value": 1.0
        }
      ]
    }
  ]

}
  

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


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