Data quality metrics extracted from 9b4t.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": "53b0f62d4ba74be62fadd59de123c248",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 58.935,
    "b": 105.936,
    "c": 114.493,
    "alpha": 90.0,
    "beta": 97.5,
    "gamma": 90.0
  },
  "wavelengths": [0.97918],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.03,2.75],
    "number_observations_unique": 35877,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.078
      },
      {
        "type": "R(meas)",
        "value": 0.084
      },
      {
        "type": "I/SigI",
        "value": 13.48
      },
      {
        "type": "Completeness",
        "value": 98.7
      },
      {
        "type": "Redundancy",
        "value": 7.0
      },
      {
        "type": "CC(1/2)",
        "value": 0.9990000000000001
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.92,2.75],
      "number_observations_unique": 5713,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.119
        },
        {
          "type": "R(meas)",
          "value": 1.205
        },
        {
          "type": "CC(1/2)",
          "value": 0.87
        }
      ]
    },
    {
      "resolution_limits": [3.12,2.92],
      "number_observations_unique": 5448,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.611
        },
        {
          "type": "R(meas)",
          "value": 0.6579999999999999
        },
        {
          "type": "CC(1/2)",
          "value": 0.9590000000000001
        }
      ]
    },
    {
      "resolution_limits": [3.37,3.12],
      "number_observations_unique": 5055,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.34
        },
        {
          "type": "R(meas)",
          "value": 0.368
        },
        {
          "type": "CC(1/2)",
          "value": 0.981
        }
      ]
    },
    {
      "resolution_limits": [3.69,3.37],
      "number_observations_unique": 4623,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.18
        },
        {
          "type": "R(meas)",
          "value": 0.19399999999999998
        },
        {
          "type": "CC(1/2)",
          "value": 0.992
        }
      ]
    },
    {
      "resolution_limits": [4.12,3.69],
      "number_observations_unique": 4215,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.10099999999999999
        },
        {
          "type": "R(meas)",
          "value": 0.109
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [4.75,4.12],
      "number_observations_unique": 3752,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.069
        },
        {
          "type": "R(meas)",
          "value": 0.075
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [5.81,4.75],
      "number_observations_unique": 3167,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.059000000000000004
        },
        {
          "type": "R(meas)",
          "value": 0.064
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [8.16,5.81],
      "number_observations_unique": 2500,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.051
        },
        {
          "type": "R(meas)",
          "value": 0.055
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [50.03,8.16],
      "number_observations_unique": 1404,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.034
        },
        {
          "type": "R(meas)",
          "value": 0.037000000000000005
        },
        {
          "type": "CC(1/2)",
          "value": 0.9990000000000001
        }
      ]
    }
  ]

}
  

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


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