Data quality metrics extracted from 6zq5.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": "3fc8fa26128e97ae267e6bb609e0ccbc",
  "space_group_name": "P 2 2 21",
  "unit_cell": {
    "a": 63.565,
    "b": 111.468,
    "c": 171.252,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [46.710,2.140],
    "number_observations": 374918,
    "number_observations_unique": 61278,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.119
      },
      {
        "type": "R(meas)",
        "value": 0.130
      },
      {
        "type": "I/SigI",
        "value": 11.590
      },
      {
        "type": "Completeness",
        "value": 89.900
      },
      {
        "type": "Redundancy",
        "value": 6.118
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.270,2.140],
      "number_observations": 38178,
      "number_observations_unique": 8088,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.197
        },
        {
          "type": "R(meas)",
          "value": 2.435
        },
        {
          "type": "I/SigI",
          "value": 0.670
        },
        {
          "type": "Completeness",
          "value": 74.400
        },
        {
          "type": "Redundancy",
          "value": 4.720
        },
        {
          "type": "CC(1/2)",
          "value": 0.276
        }
      ]
    },
    {
      "resolution_limits": [2.420,2.270],
      "number_observations": 42126,
      "number_observations_unique": 7998,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.312
        },
        {
          "type": "R(meas)",
          "value": 1.443
        },
        {
          "type": "I/SigI",
          "value": 1.210
        },
        {
          "type": "Completeness",
          "value": 78.300
        },
        {
          "type": "Redundancy",
          "value": 5.267
        },
        {
          "type": "CC(1/2)",
          "value": 0.494
        }
      ]
    },
    {
      "resolution_limits": [2.620,2.420],
      "number_observations": 45102,
      "number_observations_unique": 8207,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.832
        },
        {
          "type": "R(meas)",
          "value": 0.912
        },
        {
          "type": "I/SigI",
          "value": 2.020
        },
        {
          "type": "Completeness",
          "value": 86.100
        },
        {
          "type": "Redundancy",
          "value": 5.496
        },
        {
          "type": "CC(1/2)",
          "value": 0.735
        }
      ]
    },
    {
      "resolution_limits": [2.870,2.620],
      "number_observations": 48086,
      "number_observations_unique": 8348,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.441
        },
        {
          "type": "R(meas)",
          "value": 0.484
        },
        {
          "type": "I/SigI",
          "value": 3.930
        },
        {
          "type": "Completeness",
          "value": 94.700
        },
        {
          "type": "Redundancy",
          "value": 5.760
        },
        {
          "type": "CC(1/2)",
          "value": 0.899
        }
      ]
    },
    {
      "resolution_limits": [3.200,2.870],
      "number_observations": 56010,
      "number_observations_unique": 7969,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.246
        },
        {
          "type": "R(meas)",
          "value": 0.265
        },
        {
          "type": "I/SigI",
          "value": 7.890
        },
        {
          "type": "Completeness",
          "value": 99.600
        },
        {
          "type": "Redundancy",
          "value": 7.028
        },
        {
          "type": "CC(1/2)",
          "value": 0.974
        }
      ]
    },
    {
      "resolution_limits": [3.700,3.200],
      "number_observations": 49499,
      "number_observations_unique": 7074,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.116
        },
        {
          "type": "R(meas)",
          "value": 0.126
        },
        {
          "type": "I/SigI",
          "value": 16.170
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 6.997
        },
        {
          "type": "CC(1/2)",
          "value": 0.993
        }
      ]
    },
    {
      "resolution_limits": [4.520,3.700],
      "number_observations": 44390,
      "number_observations_unique": 6046,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.060
        },
        {
          "type": "R(meas)",
          "value": 0.064
        },
        {
          "type": "I/SigI",
          "value": 29.740
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 7.342
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [6.360,4.520],
      "number_observations": 32801,
      "number_observations_unique": 4754,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.046
        },
        {
          "type": "R(meas)",
          "value": 0.050
        },
        {
          "type": "I/SigI",
          "value": 34.170
        },
        {
          "type": "Completeness",
          "value": 99.500
        },
        {
          "type": "Redundancy",
          "value": 6.900
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [46.710,6.360],
      "number_observations": 18726,
      "number_observations_unique": 2794,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.031
        },
        {
          "type": "R(meas)",
          "value": 0.034
        },
        {
          "type": "I/SigI",
          "value": 45.230
        },
        {
          "type": "Completeness",
          "value": 99.000
        },
        {
          "type": "Redundancy",
          "value": 6.702
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 46.710 46.710 2.420
High resolution limit [Å] 2.140 6.360 2.270
R(merge) 0.1190 0.0310 1.3120
R(meas) 0.1300 0.0340 1.4430
CC(1/2) 0.998 0.999 0.494
Completeness [%] 89.9 99.0 78.3
Multiplicity 6.1 6.7 5.3


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

Resolution [Å] R(merge) R(meas) CC(1/2) Completeness [%] Multiplicity
46.710-6.360 0.0310 0.0340 0.999 99.0 6.7
6.360-4.520 0.0460 0.0500 0.998 99.5 6.9
4.520-3.700 0.0600 0.0640 0.998 99.9 7.3
3.700-3.200 0.1160 0.1260 0.993 99.7 7.0
3.200-2.870 0.2460 0.2650 0.974 99.6 7.0
2.870-2.620 0.4410 0.4840 0.899 94.7 5.8
2.620-2.420 0.8320 0.9120 0.735 86.1 5.5
2.420-2.270 1.3120 1.4430 0.494 78.3 5.3
2.270-2.140 2.1970 2.4350 0.276 74.4 4.7