Data quality metrics extracted from 8d6f.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": "520743ea136527824aa7f7f89d152921",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 50.748,
    "b": 112.047,
    "c": 72.506,
    "alpha": 90.00,
    "beta": 110.21,
    "gamma": 90.00
  },
  "wavelengths": [0.97910],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [68.040,2.490],
    "number_observations": 91995,
    "number_observations_unique": 26430,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.053
      },
      {
        "type": "R(meas)",
        "value": 0.075
      },
      {
        "type": "I/SigI",
        "value": 6.080
      },
      {
        "type": "Completeness",
        "value": 82.000
      },
      {
        "type": "Redundancy",
        "value": 1.066
      },
      {
        "type": "CC(1/2)",
        "value": 0.996
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.640,2.490],
      "number_observations": 14145,
      "number_observations_unique": 13020,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.532
        },
        {
          "type": "R(meas)",
          "value": 0.752
        },
        {
          "type": "I/SigI",
          "value": 0.710
        },
        {
          "type": "Completeness",
          "value": 76.900
        },
        {
          "type": "Redundancy",
          "value": 1.086
        },
        {
          "type": "CC(1/2)",
          "value": 0.618
        }
      ]
    },
    {
      "resolution_limits": [2.820,2.640],
      "number_observations": 14487,
      "number_observations_unique": 13351,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.243
        },
        {
          "type": "R(meas)",
          "value": 0.343
        },
        {
          "type": "I/SigI",
          "value": 1.370
        },
        {
          "type": "Completeness",
          "value": 82.900
        },
        {
          "type": "Redundancy",
          "value": 1.085
        },
        {
          "type": "CC(1/2)",
          "value": 0.923
        }
      ]
    },
    {
      "resolution_limits": [3.050,2.820],
      "number_observations": 12976,
      "number_observations_unique": 12060,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.135
        },
        {
          "type": "R(meas)",
          "value": 0.192
        },
        {
          "type": "I/SigI",
          "value": 2.440
        },
        {
          "type": "Completeness",
          "value": 81.200
        },
        {
          "type": "Redundancy",
          "value": 1.076
        },
        {
          "type": "CC(1/2)",
          "value": 0.977
        }
      ]
    },
    {
      "resolution_limits": [3.340,3.050],
      "number_observations": 11812,
      "number_observations_unique": 11032,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.063
        },
        {
          "type": "R(meas)",
          "value": 0.089
        },
        {
          "type": "I/SigI",
          "value": 4.900
        },
        {
          "type": "Completeness",
          "value": 80.400
        },
        {
          "type": "Redundancy",
          "value": 1.071
        },
        {
          "type": "CC(1/2)",
          "value": 0.993
        }
      ]
    },
    {
      "resolution_limits": [3.730,3.340],
      "number_observations": 11137,
      "number_observations_unique": 10474,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.050
        },
        {
          "type": "R(meas)",
          "value": 0.070
        },
        {
          "type": "I/SigI",
          "value": 8.190
        },
        {
          "type": "Completeness",
          "value": 85.000
        },
        {
          "type": "Redundancy",
          "value": 1.063
        },
        {
          "type": "CC(1/2)",
          "value": 0.992
        }
      ]
    },
    {
      "resolution_limits": [4.310,3.730],
      "number_observations": 9320,
      "number_observations_unique": 8836,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.047
        },
        {
          "type": "R(meas)",
          "value": 0.067
        },
        {
          "type": "I/SigI",
          "value": 11.140
        },
        {
          "type": "Completeness",
          "value": 80.600
        },
        {
          "type": "Redundancy",
          "value": 1.055
        },
        {
          "type": "CC(1/2)",
          "value": 0.988
        }
      ]
    },
    {
      "resolution_limits": [5.270,4.310],
      "number_observations": 8392,
      "number_observations_unique": 8029,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.037
        },
        {
          "type": "R(meas)",
          "value": 0.053
        },
        {
          "type": "I/SigI",
          "value": 12.730
        },
        {
          "type": "Completeness",
          "value": 87.500
        },
        {
          "type": "Redundancy",
          "value": 1.045
        },
        {
          "type": "CC(1/2)",
          "value": 0.994
        }
      ]
    },
    {
      "resolution_limits": [7.450,5.270],
      "number_observations": 6212,
      "number_observations_unique": 6008,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.035
        },
        {
          "type": "R(meas)",
          "value": 0.050
        },
        {
          "type": "I/SigI",
          "value": 13.050
        },
        {
          "type": "Completeness",
          "value": 83.900
        },
        {
          "type": "Redundancy",
          "value": 1.034
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    },
    {
      "resolution_limits": [68.040,7.450],
      "number_observations": 3514,
      "number_observations_unique": 3450,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.040
        },
        {
          "type": "R(meas)",
          "value": 0.056
        },
        {
          "type": "I/SigI",
          "value": 14.110
        },
        {
          "type": "Completeness",
          "value": 87.800
        },
        {
          "type": "Redundancy",
          "value": 1.019
        },
        {
          "type": "CC(1/2)",
          "value": 0.994
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 68.040 68.040 2.820
High resolution limit [Å] 2.490 7.450 2.640
R(merge) 0.0530 0.0400 0.2430
R(meas) 0.0750 0.0560 0.3430
CC(1/2) 0.996 0.994 0.923
Completeness [%] 82.0 87.8 82.9
Multiplicity 2.1 1.0 2.1


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

Resolution [Å] R(merge) R(meas) CC(1/2) Completeness [%] Multiplicity
68.040-7.450 0.0400 0.0560 0.994 87.8 1.0
7.450-5.270 0.0350 0.0500 0.996 83.9 1.0
5.270-4.310 0.0370 0.0530 0.994 87.5 1.0
4.310-3.730 0.0470 0.0670 0.988 80.6 2.1
3.730-3.340 0.0500 0.0700 0.992 85.0 2.1
3.340-3.050 0.0630 0.0890 0.993 80.4 2.1
3.050-2.820 0.1350 0.1920 0.977 81.2 2.1
2.820-2.640 0.2430 0.3430 0.923 82.9 2.1
2.640-2.490 0.5320 0.7520 0.618 76.9 2.1