Data quality metrics extracted from 8t72.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": "8228166db5df4662e5abbc81c63f9936",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 43.901,
    "b": 102.066,
    "c": 54.031,
    "alpha": 90.00,
    "beta": 113.77,
    "gamma": 90.00
  },
  "wavelengths": [0.97910],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [44.5,1.6],
    "number_observations_unique": 56159,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.062
      },
      {
        "type": "R(meas)",
        "value": 0.069
      },
      {
        "type": "I/SigI",
        "value": 11.59
      },
      {
        "type": "Completeness",
        "value": 97.5
      },
      {
        "type": "Redundancy",
        "value": 5.1
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.7,1.60],
      "number_observations_unique": 8976,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.8859999999999999
        },
        {
          "type": "R(meas)",
          "value": 0.9890000000000001
        },
        {
          "type": "CC(1/2)",
          "value": 0.7140000000000001
        }
      ]
    },
    {
      "resolution_limits": [1.81,1.70],
      "number_observations_unique": 8553,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.5
        },
        {
          "type": "R(meas)",
          "value": 0.556
        },
        {
          "type": "CC(1/2)",
          "value": 0.8959999999999999
        }
      ]
    },
    {
      "resolution_limits": [1.96,1.81],
      "number_observations_unique": 7934,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.28300000000000003
        },
        {
          "type": "R(meas)",
          "value": 0.318
        },
        {
          "type": "CC(1/2)",
          "value": 0.9570000000000001
        }
      ]
    },
    {
      "resolution_limits": [2.14,1.96],
      "number_observations_unique": 7372,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.158
        },
        {
          "type": "R(meas)",
          "value": 0.175
        },
        {
          "type": "CC(1/2)",
          "value": 0.983
        }
      ]
    },
    {
      "resolution_limits": [2.4,2.14],
      "number_observations_unique": 6698,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.10099999999999999
        },
        {
          "type": "R(meas)",
          "value": 0.11199999999999999
        },
        {
          "type": "CC(1/2)",
          "value": 0.991
        }
      ]
    },
    {
      "resolution_limits": [2.77,2.40],
      "number_observations_unique": 5816,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.07400000000000001
        },
        {
          "type": "R(meas)",
          "value": 0.083
        },
        {
          "type": "CC(1/2)",
          "value": 0.9940000000000001
        }
      ]
    },
    {
      "resolution_limits": [3.38,2.77],
      "number_observations_unique": 4980,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.057
        },
        {
          "type": "R(meas)",
          "value": 0.064
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    },
    {
      "resolution_limits": [4.77,3.38],
      "number_observations_unique": 3733,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.047
        },
        {
          "type": "R(meas)",
          "value": 0.052000000000000005
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [44.5,4.77],
      "number_observations_unique": 2097,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.044000000000000004
        },
        {
          "type": "R(meas)",
          "value": 0.049
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    }
  ]

}
  

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


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