Data quality metrics extracted from 8hxq.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": "5b17b6cd8673a7d2dd5aa2d2754e81ec",
  "space_group_name": "P 41 21 2",
  "unit_cell": {
    "a": 66.773,
    "b": 66.773,
    "c": 174.237,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97800],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.00,2.39],
    "number_observations_unique": 16468,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.136
      },
      {
        "type": "R(meas)",
        "value": 0.142
      },
      {
        "type": "I/SigI",
        "value": 11.33
      },
      {
        "type": "Completeness",
        "value": 99.6
      },
      {
        "type": "Redundancy",
        "value": 12.6
      },
      {
        "type": "CC(1/2)",
        "value": 0.9940000000000001
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.45,2.39],
      "number_observations_unique": 1142,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.371
        },
        {
          "type": "R(meas)",
          "value": 0.738
        },
        {
          "type": "CC(1/2)",
          "value": 0.847
        }
      ]
    },
    {
      "resolution_limits": [2.52,2.45],
      "number_observations_unique": 1140,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.044
        },
        {
          "type": "R(meas)",
          "value": 0.602
        },
        {
          "type": "CC(1/2)",
          "value": 0.9209999999999999
        }
      ]
    },
    {
      "resolution_limits": [2.59,2.52],
      "number_observations_unique": 1123,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.71
        },
        {
          "type": "R(meas)",
          "value": 0.478
        },
        {
          "type": "CC(1/2)",
          "value": 0.982
        }
      ]
    },
    {
      "resolution_limits": [2.67,2.59],
      "number_observations_unique": 1118,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.578
        },
        {
          "type": "R(meas)",
          "value": 0.358
        },
        {
          "type": "CC(1/2)",
          "value": 0.976
        }
      ]
    },
    {
      "resolution_limits": [2.76,2.67],
      "number_observations_unique": 1051,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.45799999999999996
        },
        {
          "type": "R(meas)",
          "value": 0.3
        },
        {
          "type": "CC(1/2)",
          "value": 0.9840000000000001
        }
      ]
    },
    {
      "resolution_limits": [2.85,2.76],
      "number_observations_unique": 1040,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.342
        },
        {
          "type": "R(meas)",
          "value": 0.247
        },
        {
          "type": "CC(1/2)",
          "value": 0.9890000000000001
        }
      ]
    },
    {
      "resolution_limits": [2.96,2.85],
      "number_observations_unique": 1008,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.28800000000000003
        },
        {
          "type": "R(meas)",
          "value": 0.198
        },
        {
          "type": "CC(1/2)",
          "value": 0.9890000000000001
        }
      ]
    },
    {
      "resolution_limits": [3.08,2.96],
      "number_observations_unique": 939,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.237
        },
        {
          "type": "R(meas)",
          "value": 0.168
        },
        {
          "type": "CC(1/2)",
          "value": 0.992
        }
      ]
    },
    {
      "resolution_limits": [3.22,3.08],
      "number_observations_unique": 940,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.19
        },
        {
          "type": "R(meas)",
          "value": 0.14
        },
        {
          "type": "CC(1/2)",
          "value": 0.985
        }
      ]
    },
    {
      "resolution_limits": [3.37,3.22],
      "number_observations_unique": 902,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.161
        },
        {
          "type": "R(meas)",
          "value": 0.129
        },
        {
          "type": "CC(1/2)",
          "value": 0.9940000000000001
        }
      ]
    },
    {
      "resolution_limits": [3.56,3.37],
      "number_observations_unique": 847,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.134
        },
        {
          "type": "R(meas)",
          "value": 0.11900000000000001
        },
        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    },
    {
      "resolution_limits": [3.77,3.56],
      "number_observations_unique": 804,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.12300000000000001
        },
        {
          "type": "R(meas)",
          "value": 0.105
        },
        {
          "type": "CC(1/2)",
          "value": 0.982
        }
      ]
    },
    {
      "resolution_limits": [4.03,3.77],
      "number_observations_unique": 766,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.113
        },
        {
          "type": "R(meas)",
          "value": 0.10300000000000001
        },
        {
          "type": "CC(1/2)",
          "value": 0.993
        }
      ]
    },
    {
      "resolution_limits": [4.36,4.03],
      "number_observations_unique": 718,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.1
        },
        {
          "type": "R(meas)",
          "value": 0.1
        },
        {
          "type": "CC(1/2)",
          "value": 0.9940000000000001
        }
      ]
    },
    {
      "resolution_limits": [4.77,4.36],
      "number_observations_unique": 677,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.099
        },
        {
          "type": "R(meas)",
          "value": 0.10300000000000001
        },
        {
          "type": "CC(1/2)",
          "value": 0.9940000000000001
        }
      ]
    },
    {
      "resolution_limits": [5.34,4.77],
      "number_observations_unique": 608,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.096
        },
        {
          "type": "R(meas)",
          "value": 0.102
        },
        {
          "type": "CC(1/2)",
          "value": 0.992
        }
      ]
    },
    {
      "resolution_limits": [6.16,5.34],
      "number_observations_unique": 544,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.099
        },
        {
          "type": "R(meas)",
          "value": 0.09300000000000001
        },
        {
          "type": "CC(1/2)",
          "value": 0.993
        }
      ]
    },
    {
      "resolution_limits": [7.55,6.16],
      "number_observations_unique": 474,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.09699999999999999
        },
        {
          "type": "R(meas)",
          "value": 0.098
        },
        {
          "type": "CC(1/2)",
          "value": 0.9940000000000001
        }
      ]
    },
    {
      "resolution_limits": [10.67,7.55],
      "number_observations_unique": 383,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.08800000000000001
        },
        {
          "type": "CC(1/2)",
          "value": 0.991
        }
      ]
    },
    {
      "resolution_limits": [2.45,2.39],
      "number_observations_unique": 244,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.09300000000000001
        },
        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 50.000 10.670 2.450
High resolution limit [Å] 2.390 7.550 2.390
R(merge) 0.1360 0.0880 0.0930
R(meas) 0.1420 - -
CC(1/2) 0.994 0.991 0.995
Completeness [%] 99.6 - -
Multiplicity 12.6 - -


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

Resolution [Å] R(merge) R(meas) CC(1/2)
10.670-7.550 0.0880 - 0.991
7.550-6.160 0.0970 0.0980 0.994
6.160-5.340 0.0990 0.0930 0.993
5.340-4.770 0.0960 0.1020 0.992
4.770-4.360 0.0990 0.1030 0.994
4.360-4.030 0.1000 0.1000 0.994
4.030-3.770 0.1130 0.1030 0.993
3.770-3.560 0.1230 0.1050 0.982
3.560-3.370 0.1340 0.1190 0.995
3.370-3.220 0.1610 0.1290 0.994
3.220-3.080 0.1900 0.1400 0.985
3.080-2.960 0.2370 0.1680 0.992
2.960-2.850 0.2880 0.1980 0.989
2.850-2.760 0.3420 0.2470 0.989
2.760-2.670 0.4580 0.3000 0.984
2.670-2.590 0.5780 0.3580 0.976
2.590-2.520 0.7100 0.4780 0.982
2.520-2.450 1.0440 0.6020 0.921
2.450-2.390 0.0930 - 0.995