Data quality metrics extracted from 8sth.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": "8971e5423a36ac7d6d7e788ff9857291",
  "space_group_name": "P 41 21 2",
  "unit_cell": {
    "a": 112.550,
    "b": 112.550,
    "c": 36.195,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97950],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [79.58,1.97],
    "number_observations_unique": 16735,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.059000000000000004
      },
      {
        "type": "R(meas)",
        "value": 0.067
      },
      {
        "type": "I/SigI",
        "value": 14.66
      },
      {
        "type": "Completeness",
        "value": 98.3
      },
      {
        "type": "Redundancy",
        "value": 4.3
      },
      {
        "type": "CC(1/2)",
        "value": 0.9990000000000001
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.22,1.97],
      "number_observations_unique": 4960,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.445
        },
        {
          "type": "R(meas)",
          "value": 0.505
        },
        {
          "type": "CC(1/2)",
          "value": 0.9059999999999999
        }
      ]
    },
    {
      "resolution_limits": [2.45,2.22],
      "number_observations_unique": 2964,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.177
        },
        {
          "type": "R(meas)",
          "value": 0.201
        },
        {
          "type": "CC(1/2)",
          "value": 0.977
        }
      ]
    },
    {
      "resolution_limits": [2.81,2.45],
      "number_observations_unique": 2936,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.1
        },
        {
          "type": "R(meas)",
          "value": 0.113
        },
        {
          "type": "CC(1/2)",
          "value": 0.991
        }
      ]
    },
    {
      "resolution_limits": [3.43,2.81],
      "number_observations_unique": 2579,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.053
        },
        {
          "type": "R(meas)",
          "value": 0.06
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [4.34,3.43],
      "number_observations_unique": 1643,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.035
        },
        {
          "type": "R(meas)",
          "value": 0.04
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [5.58,4.34],
      "number_observations_unique": 850,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.033
        },
        {
          "type": "R(meas)",
          "value": 0.038
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [8.14,5.58],
      "number_observations_unique": 529,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.033
        },
        {
          "type": "R(meas)",
          "value": 0.038
        },
        {
          "type": "CC(1/2)",
          "value": 0.9990000000000001
        }
      ]
    },
    {
      "resolution_limits": [13.03,8.14],
      "number_observations_unique": 201,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.028999999999999998
        },
        {
          "type": "R(meas)",
          "value": 0.034
        },
        {
          "type": "CC(1/2)",
          "value": 0.9990000000000001
        }
      ]
    },
    {
      "resolution_limits": [79.58,13.03],
      "number_observations_unique": 73,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.027000000000000003
        },
        {
          "type": "R(meas)",
          "value": 0.033
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    }
  ]

}
  

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


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