Data quality metrics extracted from 9fxt.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": "f66e2b7d84576cd6cd7df98a44528d82",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 48.355,
    "b": 125.277,
    "c": 190.759,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.67019],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.69,2.3],
    "number_observations_unique": 52514,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.166
      },
      {
        "type": "R(meas)",
        "value": 0.170
      },
      {
        "type": "I/SigI",
        "value": 15.6
      },
      {
        "type": "Completeness",
        "value": 99.9
      },
      {
        "type": "Redundancy",
        "value": 23.27
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.44,2.30],
      "number_observations_unique": 5942,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.08
        },
        {
          "type": "R(meas)",
          "value": 1.3
        },
        {
          "type": "CC(1/2)",
          "value": 0.3
        }
      ]
    },
    {
      "resolution_limits": [2.61,2.44],
      "number_observations_unique": 6983,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.96
        },
        {
          "type": "CC(1/2)",
          "value": 0.47
        }
      ]
    },
    {
      "resolution_limits": [2.81,2.61],
      "number_observations_unique": 6723,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.57
        },
        {
          "type": "CC(1/2)",
          "value": 0.73
        }
      ]
    },
    {
      "resolution_limits": [3.08,2.81],
      "number_observations_unique": 6190,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.3
        },
        {
          "type": "CC(1/2)",
          "value": 0.90
        }
      ]
    },
    {
      "resolution_limits": [3.44,3.08],
      "number_observations_unique": 5543,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.16
        },
        {
          "type": "CC(1/2)",
          "value": 0.97
        }
      ]
    },
    {
      "resolution_limits": [3.97,3.44],
      "number_observations_unique": 4831,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.09
        },
        {
          "type": "CC(1/2)",
          "value": 0.98
        }
      ]
    },
    {
      "resolution_limits": [4.86,3.97],
      "number_observations_unique": 4108,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.06
        },
        {
          "type": "CC(1/2)",
          "value": 0.994
        }
      ]
    },
    {
      "resolution_limits": [6.83,4.86],
      "number_observations_unique": 3137,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.062
        },
        {
          "type": "CC(1/2)",
          "value": 0.993
        }
      ]
    }
  ]

}
  

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


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