Data quality metrics extracted from 6xuq.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": "40bcc056c76b5362c5c7a7352f69b7c1",
  "space_group_name": "C 2 2 21",
  "unit_cell": {
    "a": 53.09,
    "b": 93.85,
    "c": 235.66,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.91841],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.13,1.970],
    "number_observations_unique": 80202,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.120
      },
      {
        "type": "R(meas)",
        "value": 0.142
      },
      {
        "type": "I/SigI",
        "value": 6.810
      },
      {
        "type": "Completeness",
        "value": 99.600
      },
      {
        "type": "Redundancy",
        "value": 3.482
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.090,1.970],
      "number_observations_unique": 12856,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 3.381
        },
        {
          "type": "R(meas)",
          "value": 3.984
        },
        {
          "type": "I/SigI",
          "value": 0.370
        },
        {
          "type": "Completeness",
          "value": 99.200
        },
        {
          "type": "Redundancy",
          "value": 3.528
        },
        {
          "type": "CC(1/2)",
          "value": 0.135
        }
      ]
    },
    {
      "resolution_limits": [2.230,2.090],
      "number_observations_unique": 12246,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.789
        },
        {
          "type": "R(meas)",
          "value": 2.124
        },
        {
          "type": "I/SigI",
          "value": 0.730
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 3.416
        },
        {
          "type": "CC(1/2)",
          "value": 0.350
        }
      ]
    },
    {
      "resolution_limits": [2.410,2.230],
      "number_observations_unique": 11365,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.951
        },
        {
          "type": "R(meas)",
          "value": 1.125
        },
        {
          "type": "I/SigI",
          "value": 1.360
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 3.478
        },
        {
          "type": "CC(1/2)",
          "value": 0.629
        }
      ]
    },
    {
      "resolution_limits": [2.640,2.410],
      "number_observations_unique": 10453,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.538
        },
        {
          "type": "R(meas)",
          "value": 0.634
        },
        {
          "type": "I/SigI",
          "value": 2.410
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 3.525
        },
        {
          "type": "CC(1/2)",
          "value": 0.846
        }
      ]
    },
    {
      "resolution_limits": [2.950,2.640],
      "number_observations_unique": 9466,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.259
        },
        {
          "type": "R(meas)",
          "value": 0.307
        },
        {
          "type": "I/SigI",
          "value": 4.530
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 3.422
        },
        {
          "type": "CC(1/2)",
          "value": 0.953
        }
      ]
    },
    {
      "resolution_limits": [3.400,2.950],
      "number_observations_unique": 8332,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.122
        },
        {
          "type": "R(meas)",
          "value": 0.143
        },
        {
          "type": "I/SigI",
          "value": 9.180
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 3.555
        },
        {
          "type": "CC(1/2)",
          "value": 0.989
        }
      ]
    },
    {
      "resolution_limits": [4.160,3.400],
      "number_observations_unique": 7043,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.057
        },
        {
          "type": "R(meas)",
          "value": 0.067
        },
        {
          "type": "I/SigI",
          "value": 18.570
        },
        {
          "type": "Completeness",
          "value": 99.400
        },
        {
          "type": "Redundancy",
          "value": 3.462
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    },
    {
      "resolution_limits": [5.870,4.160],
      "number_observations_unique": 5420,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.041
        },
        {
          "type": "R(meas)",
          "value": 0.048
        },
        {
          "type": "I/SigI",
          "value": 26.590
        },
        {
          "type": "Completeness",
          "value": 99.100
        },
        {
          "type": "Redundancy",
          "value": 3.438
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [47.13,5.870],
      "number_observations_unique": 3020,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.032
        },
        {
          "type": "R(meas)",
          "value": 0.038
        },
        {
          "type": "I/SigI",
          "value": 32.260
        },
        {
          "type": "Completeness",
          "value": 99.500
        },
        {
          "type": "Redundancy",
          "value": 3.530
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 47.130 47.130 2.230
High resolution limit [Å] 1.970 5.870 2.090
R(merge) 0.1200 0.0320 1.7890
R(meas) 0.1420 0.0380 2.1240
CC(1/2) 0.998 0.999 0.350
Completeness [%] 99.6 99.5 99.8
Multiplicity 3.5 3.5 3.4


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

Resolution [Å] R(merge) R(meas) CC(1/2) Completeness [%] Multiplicity
47.130-5.870 0.0320 0.0380 0.999 99.5 3.5
5.870-4.160 0.0410 0.0480 0.998 99.1 3.4
4.160-3.400 0.0570 0.0670 0.996 99.4 3.5
3.400-2.950 0.1220 0.1430 0.989 99.8 3.6
2.950-2.640 0.2590 0.3070 0.953 99.7 3.4
2.640-2.410 0.5380 0.6340 0.846 99.8 3.5
2.410-2.230 0.9510 1.1250 0.629 99.8 3.5
2.230-2.090 1.7890 2.1240 0.350 99.8 3.4
2.090-1.970 3.3810 3.9840 0.135 99.2 3.5