Data quality metrics extracted from 8q5j.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": "5f832adc28d2dc437b32e10f6cc7cf9a",
  "space_group_name": "P 21 21 2",
  "unit_cell": {
    "a": 121.27,
    "b": 46.89,
    "c": 75.73,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.99990],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.38,1.48],
    "number_observations_unique": 139161,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.154
      },
      {
        "type": "R(meas)",
        "value": 0.168
      },
      {
        "type": "I/SigI",
        "value": 9.82
      },
      {
        "type": "Completeness",
        "value": 100.0
      },
      {
        "type": "Redundancy",
        "value": 12.3
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.52,1.48],
      "number_observations_unique": 10321,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.238
        },
        {
          "type": "R(meas)",
          "value": 2.636
        },
        {
          "type": "CC(1/2)",
          "value": 0.19899999999999998
        }
      ]
    },
    {
      "resolution_limits": [1.56,1.52],
      "number_observations_unique": 9989,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.8969999999999998
        },
        {
          "type": "R(meas)",
          "value": 2.149
        },
        {
          "type": "CC(1/2)",
          "value": 0.364
        }
      ]
    },
    {
      "resolution_limits": [1.61,1.56],
      "number_observations_unique": 9789,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.585
        },
        {
          "type": "R(meas)",
          "value": 1.771
        },
        {
          "type": "CC(1/2)",
          "value": 0.484
        }
      ]
    },
    {
      "resolution_limits": [1.65,1.61],
      "number_observations_unique": 9453,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.3
        },
        {
          "type": "R(meas)",
          "value": 1.435
        },
        {
          "type": "CC(1/2)",
          "value": 0.632
        }
      ]
    },
    {
      "resolution_limits": [1.71,1.65],
      "number_observations_unique": 9190,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.146
        },
        {
          "type": "R(meas)",
          "value": 1.25
        },
        {
          "type": "CC(1/2)",
          "value": 0.7290000000000001
        }
      ]
    },
    {
      "resolution_limits": [1.77,1.71],
      "number_observations_unique": 8878,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.888
        },
        {
          "type": "R(meas)",
          "value": 0.9670000000000001
        },
        {
          "type": "CC(1/2)",
          "value": 0.8270000000000001
        }
      ]
    },
    {
      "resolution_limits": [1.84,1.77],
      "number_observations_unique": 8571,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.7120000000000001
        },
        {
          "type": "R(meas)",
          "value": 0.775
        },
        {
          "type": "CC(1/2)",
          "value": 0.89
        }
      ]
    },
    {
      "resolution_limits": [1.91,1.84],
      "number_observations_unique": 8256,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.583
        },
        {
          "type": "R(meas)",
          "value": 0.633
        },
        {
          "type": "CC(1/2)",
          "value": 0.922
        }
      ]
    },
    {
      "resolution_limits": [2.0,1.91],
      "number_observations_unique": 7913,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.461
        },
        {
          "type": "R(meas)",
          "value": 0.501
        },
        {
          "type": "CC(1/2)",
          "value": 0.958
        }
      ]
    },
    {
      "resolution_limits": [2.09,2.00],
      "number_observations_unique": 7571,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.355
        },
        {
          "type": "R(meas)",
          "value": 0.385
        },
        {
          "type": "CC(1/2)",
          "value": 0.977
        }
      ]
    },
    {
      "resolution_limits": [2.21,2.09],
      "number_observations_unique": 7174,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.315
        },
        {
          "type": "R(meas)",
          "value": 0.34299999999999997
        },
        {
          "type": "CC(1/2)",
          "value": 0.9840000000000001
        }
      ]
    },
    {
      "resolution_limits": [2.34,2.21],
      "number_observations_unique": 6849,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.275
        },
        {
          "type": "R(meas)",
          "value": 0.299
        },
        {
          "type": "CC(1/2)",
          "value": 0.988
        }
      ]
    },
    {
      "resolution_limits": [2.5,2.34],
      "number_observations_unique": 6359,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.239
        },
        {
          "type": "R(meas)",
          "value": 0.259
        },
        {
          "type": "CC(1/2)",
          "value": 0.991
        }
      ]
    },
    {
      "resolution_limits": [2.7,2.50],
      "number_observations_unique": 5949,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.201
        },
        {
          "type": "R(meas)",
          "value": 0.218
        },
        {
          "type": "CC(1/2)",
          "value": 0.993
        }
      ]
    },
    {
      "resolution_limits": [2.96,2.70],
      "number_observations_unique": 5479,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.146
        },
        {
          "type": "R(meas)",
          "value": 0.158
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    },
    {
      "resolution_limits": [3.31,2.96],
      "number_observations_unique": 4942,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.10300000000000001
        },
        {
          "type": "R(meas)",
          "value": 0.11199999999999999
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    },
    {
      "resolution_limits": [3.82,3.31],
      "number_observations_unique": 4357,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.07
        },
        {
          "type": "R(meas)",
          "value": 0.076
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [4.68,3.82],
      "number_observations_unique": 3730,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.054000000000000006
        },
        {
          "type": "R(meas)",
          "value": 0.059000000000000004
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [6.62,4.68],
      "number_observations_unique": 2819,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.055999999999999994
        },
        {
          "type": "R(meas)",
          "value": 0.061
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 47.380 6.620 1.560
High resolution limit [Å] 1.480 4.680 1.520
R(merge) 0.1540 0.0560 1.8970
R(meas) 0.1680 0.0610 2.1490
CC(1/2) 0.998 0.998 0.364
Completeness [%] 100.0 - -
Multiplicity 12.3 - -


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

Resolution [Å] R(merge) R(meas) CC(1/2)
6.620-4.680 0.0560 0.0610 0.998
4.680-3.820 0.0540 0.0590 0.998
3.820-3.310 0.0700 0.0760 0.997
3.310-2.960 0.1030 0.1120 0.996
2.960-2.700 0.1460 0.1580 0.996
2.700-2.500 0.2010 0.2180 0.993
2.500-2.340 0.2390 0.2590 0.991
2.340-2.210 0.2750 0.2990 0.988
2.210-2.090 0.3150 0.3430 0.984
2.090-2.000 0.3550 0.3850 0.977
2.000-1.910 0.4610 0.5010 0.958
1.910-1.840 0.5830 0.6330 0.922
1.840-1.770 0.7120 0.7750 0.890
1.770-1.710 0.8880 0.9670 0.827
1.710-1.650 1.1460 1.2500 0.729
1.650-1.610 1.3000 1.4350 0.632
1.610-1.560 1.5850 1.7710 0.484
1.560-1.520 1.8970 2.1490 0.364
1.520-1.480 2.2380 2.6360 0.199