Data quality metrics extracted from 8usu.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": "83341b8f40d4f071051f1f050f89948f",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 124.899,
    "b": 56.460,
    "c": 107.392,
    "alpha": 90.00,
    "beta": 109.89,
    "gamma": 90.00
  },
  "wavelengths": [0.97718],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.40,2.97],
    "number_observations_unique": 14789,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.519
      },
      {
        "type": "R(meas)",
        "value": 0.569
      },
      {
        "type": "I/SigI",
        "value": 4.60
      },
      {
        "type": "Completeness",
        "value": 99.5
      },
      {
        "type": "Redundancy",
        "value": 6.29
      },
      {
        "type": "CC(1/2)",
        "value": 0.9590000000000001
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.15,2.97],
      "number_observations_unique": 2323,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.9709999999999999
        },
        {
          "type": "R(meas)",
          "value": 2.154
        },
        {
          "type": "CC(1/2)",
          "value": 0.433
        }
      ]
    },
    {
      "resolution_limits": [3.36,3.15],
      "number_observations_unique": 2227,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.469
        },
        {
          "type": "R(meas)",
          "value": 1.6030000000000002
        },
        {
          "type": "CC(1/2)",
          "value": 0.588
        }
      ]
    },
    {
      "resolution_limits": [3.63,3.36],
      "number_observations_unique": 2091,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.025
        },
        {
          "type": "R(meas)",
          "value": 1.119
        },
        {
          "type": "CC(1/2)",
          "value": 0.773
        }
      ]
    },
    {
      "resolution_limits": [3.97,3.63],
      "number_observations_unique": 1907,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.759
        },
        {
          "type": "R(meas)",
          "value": 0.835
        },
        {
          "type": "CC(1/2)",
          "value": 0.836
        }
      ]
    },
    {
      "resolution_limits": [4.44,3.97],
      "number_observations_unique": 1722,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.525
        },
        {
          "type": "R(meas)",
          "value": 0.579
        },
        {
          "type": "CC(1/2)",
          "value": 0.8859999999999999
        }
      ]
    },
    {
      "resolution_limits": [5.12,4.44],
      "number_observations_unique": 1561,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.36200000000000004
        },
        {
          "type": "R(meas)",
          "value": 0.402
        },
        {
          "type": "CC(1/2)",
          "value": 0.924
        }
      ]
    },
    {
      "resolution_limits": [6.25,5.12],
      "number_observations_unique": 1325,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.401
        },
        {
          "type": "R(meas)",
          "value": 0.439
        },
        {
          "type": "CC(1/2)",
          "value": 0.9359999999999999
        }
      ]
    },
    {
      "resolution_limits": [8.77,6.25],
      "number_observations_unique": 1023,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.23
        },
        {
          "type": "R(meas)",
          "value": 0.248
        },
        {
          "type": "CC(1/2)",
          "value": 0.986
        }
      ]
    },
    {
      "resolution_limits": [48.40,8.77],
      "number_observations_unique": 610,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.125
        },
        {
          "type": "R(meas)",
          "value": 0.136
        },
        {
          "type": "CC(1/2)",
          "value": 0.988
        }
      ]
    }
  ]

}
  

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


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