Data quality metrics extracted from 8rwu.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": "c107df4469876e4c4342b0739f6c0f1f",
  "space_group_name": "P 41 21 2",
  "unit_cell": {
    "a": 78.49,
    "b": 78.49,
    "c": 123.88,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.98012],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,3.15],
    "number_observations_unique": 7133,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.115
      },
      {
        "type": "R(meas)",
        "value": 0.11800000000000001
      },
      {
        "type": "I/SigI",
        "value": 21.53
      },
      {
        "type": "Completeness",
        "value": 99.7
      },
      {
        "type": "Redundancy",
        "value": 25
      },
      {
        "type": "CC(1/2)",
        "value": 1.0
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.34,3.15],
      "number_observations_unique": 1106,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 3.0239999999999996
        },
        {
          "type": "R(meas)",
          "value": 3.0839999999999996
        },
        {
          "type": "I/SigI",
          "value": 1.18
        },
        {
          "type": "CC(1/2)",
          "value": 0.495
        }
      ]
    },
    {
      "resolution_limits": [3.57,3.34],
      "number_observations_unique": 1058,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.345
        },
        {
          "type": "R(meas)",
          "value": 1.3719999999999999
        },
        {
          "type": "CC(1/2)",
          "value": 0.856
        }
      ]
    },
    {
      "resolution_limits": [3.85,3.57],
      "number_observations_unique": 979,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.657
        },
        {
          "type": "R(meas)",
          "value": 0.669
        },
        {
          "type": "CC(1/2)",
          "value": 0.97
        }
      ]
    },
    {
      "resolution_limits": [4.22,3.85],
      "number_observations_unique": 911,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.301
        },
        {
          "type": "R(meas)",
          "value": 0.307
        },
        {
          "type": "CC(1/2)",
          "value": 0.993
        }
      ]
    },
    {
      "resolution_limits": [4.71,4.22],
      "number_observations_unique": 833,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.153
        },
        {
          "type": "R(meas)",
          "value": 0.156
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [5.43,4.71],
      "number_observations_unique": 754,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.11
        },
        {
          "type": "R(meas)",
          "value": 0.11199999999999999
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [6.63,5.43],
      "number_observations_unique": 645,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.105
        },
        {
          "type": "R(meas)",
          "value": 0.107
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [9.3,6.63],
      "number_observations_unique": 520,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.045
        },
        {
          "type": "R(meas)",
          "value": 0.046
        },
        {
          "type": "CC(1/2)",
          "value": 1.0
        }
      ]
    }
  ]

}
  

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


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