Data quality metrics extracted from 6m5e.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": "95023a0ae08a8f5716b52bff421b8e92",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 197.05,
    "b": 125.68,
    "c": 125.74,
    "alpha": 90.00,
    "beta": 90.32,
    "gamma": 90.00
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [45.780,2.800],
    "number_observations": 1661847,
    "number_observations_unique": 75497,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.468
      },
      {
        "type": "R(meas)",
        "value": 0.479
      },
      {
        "type": "I/SigI",
        "value": 9.270
      },
      {
        "type": "Completeness",
        "value": 100.000
      },
      {
        "type": "Redundancy",
        "value": 22.012
      },
      {
        "type": "CC(1/2)",
        "value": 0.993
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.970,2.800],
      "number_observations": 260847,
      "number_observations_unique": 12153,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 4.561
        },
        {
          "type": "R(meas)",
          "value": 4.670
        },
        {
          "type": "I/SigI",
          "value": 1.020
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 21.464
        },
        {
          "type": "CC(1/2)",
          "value": 0.504
        }
      ]
    },
    {
      "resolution_limits": [3.170,2.970],
      "number_observations": 233411,
      "number_observations_unique": 11218,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.263
        },
        {
          "type": "R(meas)",
          "value": 2.319
        },
        {
          "type": "I/SigI",
          "value": 1.820
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 20.807
        },
        {
          "type": "CC(1/2)",
          "value": 0.728
        }
      ]
    },
    {
      "resolution_limits": [3.430,3.170],
      "number_observations": 239978,
      "number_observations_unique": 10938,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.189
        },
        {
          "type": "R(meas)",
          "value": 1.217
        },
        {
          "type": "I/SigI",
          "value": 3.550
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 21.940
        },
        {
          "type": "CC(1/2)",
          "value": 0.892
        }
      ]
    },
    {
      "resolution_limits": [3.760,3.430],
      "number_observations": 228560,
      "number_observations_unique": 9835,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.654
        },
        {
          "type": "R(meas)",
          "value": 0.668
        },
        {
          "type": "I/SigI",
          "value": 6.700
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 23.239
        },
        {
          "type": "CC(1/2)",
          "value": 0.961
        }
      ]
    },
    {
      "resolution_limits": [4.200,3.760],
      "number_observations": 202816,
      "number_observations_unique": 8838,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.378
        },
        {
          "type": "R(meas)",
          "value": 0.386
        },
        {
          "type": "I/SigI",
          "value": 11.110
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 22.948
        },
        {
          "type": "CC(1/2)",
          "value": 0.984
        }
      ]
    },
    {
      "resolution_limits": [4.850,4.200],
      "number_observations": 176314,
      "number_observations_unique": 7827,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.243
        },
        {
          "type": "R(meas)",
          "value": 0.249
        },
        {
          "type": "I/SigI",
          "value": 16.550
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 22.526
        },
        {
          "type": "CC(1/2)",
          "value": 0.991
        }
      ]
    },
    {
      "resolution_limits": [5.940,4.850],
      "number_observations": 137026,
      "number_observations_unique": 6644,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.223
        },
        {
          "type": "R(meas)",
          "value": 0.229
        },
        {
          "type": "I/SigI",
          "value": 16.450
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 20.624
        },
        {
          "type": "CC(1/2)",
          "value": 0.992
        }
      ]
    },
    {
      "resolution_limits": [8.400,5.940],
      "number_observations": 115641,
      "number_observations_unique": 5178,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.160
        },
        {
          "type": "R(meas)",
          "value": 0.164
        },
        {
          "type": "I/SigI",
          "value": 21.890
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 22.333
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [45.780,8.400],
      "number_observations": 67254,
      "number_observations_unique": 2866,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.100
        },
        {
          "type": "R(meas)",
          "value": 0.102
        },
        {
          "type": "I/SigI",
          "value": 39.160
        },
        {
          "type": "Completeness",
          "value": 99.300
        },
        {
          "type": "Redundancy",
          "value": 23.466
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    }
  ]

}
  

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


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