Data quality metrics extracted from 4xln.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": "af26955e46b56641a9fc9d284a14b0a2",
  "space_group_name": "P 43 21 2",
  "unit_cell": {
    "a": 289.259,
    "b": 289.259,
    "c": 536.601,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.07500],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [35.000,4.000],
    "number_observations": 4528253,
    "number_observations_unique": 189134,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.263
      },
      {
        "type": "R(meas)",
        "value": 0.268
      },
      {
        "type": "R(pim)",
        "value": 0.182
      },
      {
        "type": "I/SigI",
        "value": 2.000
      },
      {
        "type": "Completeness",
        "value": 99.100
      },
      {
        "type": "Redundancy",
        "value": 23.900
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [4.140,4.000],
      "number_observations_unique": 17240,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.586
        },
        {
          "type": "R(meas)",
          "value": 0.597
        },
        {
          "type": "R(pim)",
          "value": 0.828
        },
        {
          "type": "Completeness",
          "value": 91.300
        },
        {
          "type": "Redundancy",
          "value": 2.700
        },
        {
          "type": "CC(1/2)",
          "value": 0.030
        }
      ]
    },
    {
      "resolution_limits": [4.310,4.140],
      "number_observations_unique": 18814,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.158
        },
        {
          "type": "R(meas)",
          "value": 0.161
        },
        {
          "type": "R(pim)",
          "value": 0.718
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 20.600
        },
        {
          "type": "CC(1/2)",
          "value": 0.211
        }
      ]
    },
    {
      "resolution_limits": [4.500,4.310],
      "number_observations_unique": 18845,
      "quality_factors": [
        {
          "type": "R(pim)",
          "value": 0.621
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 24.300
        },
        {
          "type": "CC(1/2)",
          "value": 0.411
        }
      ]
    },
    {
      "resolution_limits": [4.740,4.500],
      "number_observations_unique": 18945,
      "quality_factors": [
        {
          "type": "R(pim)",
          "value": 0.492
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 25.300
        },
        {
          "type": "CC(1/2)",
          "value": 0.528
        }
      ]
    },
    {
      "resolution_limits": [5.040,4.740],
      "number_observations_unique": 18916,
      "quality_factors": [
        {
          "type": "R(pim)",
          "value": 0.315
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 26.300
        },
        {
          "type": "CC(1/2)",
          "value": 0.570
        }
      ]
    },
    {
      "resolution_limits": [5.420,5.040],
      "number_observations_unique": 18994,
      "quality_factors": [
        {
          "type": "R(pim)",
          "value": 0.111
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 27.100
        },
        {
          "type": "CC(1/2)",
          "value": 0.617
        }
      ]
    },
    {
      "resolution_limits": [5.970,5.420],
      "number_observations_unique": 19064,
      "quality_factors": [
        {
          "type": "R(pim)",
          "value": 0.031
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 28.000
        },
        {
          "type": "CC(1/2)",
          "value": 0.711
        }
      ]
    },
    {
      "resolution_limits": [6.830,5.970],
      "number_observations_unique": 19158,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 28.500
        },
        {
          "type": "CC(1/2)",
          "value": 0.861
        }
      ]
    },
    {
      "resolution_limits": [8.580,6.830],
      "number_observations_unique": 19290,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 28.300
        },
        {
          "type": "CC(1/2)",
          "value": 0.984
        }
      ]
    },
    {
      "resolution_limits": [35.000,8.580],
      "number_observations_unique": 19868,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 26.200
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    }
  ]

}
  

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


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