Data quality metrics extracted from 8pxe.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": "5879e8bccb3a8a22bf7f7c3860eb9411",
  "space_group_name": "P 41 21 2",
  "unit_cell": {
    "a": 66.004,
    "b": 66.004,
    "c": 113.245,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97930],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [46.67,3.23],
    "number_observations_unique": 4360,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.17
      },
      {
        "type": "R(meas)",
        "value": 0.178
      },
      {
        "type": "I/SigI",
        "value": 14.75
      },
      {
        "type": "Completeness",
        "value": 99.8
      },
      {
        "type": "Redundancy",
        "value": 12.14
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.43,3.23],
      "number_observations_unique": 675,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.732
        },
        {
          "type": "R(meas)",
          "value": 1.804
        },
        {
          "type": "CC(1/2)",
          "value": 0.611
        }
      ]
    },
    {
      "resolution_limits": [3.66,3.43],
      "number_observations_unique": 644,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.063
        },
        {
          "type": "R(meas)",
          "value": 1.109
        },
        {
          "type": "CC(1/2)",
          "value": 0.8320000000000001
        }
      ]
    },
    {
      "resolution_limits": [3.96,3.66],
      "number_observations_unique": 594,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.593
        },
        {
          "type": "R(meas)",
          "value": 0.619
        },
        {
          "type": "CC(1/2)",
          "value": 0.96
        }
      ]
    },
    {
      "resolution_limits": [4.33,3.96],
      "number_observations_unique": 558,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.302
        },
        {
          "type": "R(meas)",
          "value": 0.315
        },
        {
          "type": "CC(1/2)",
          "value": 0.99
        }
      ]
    },
    {
      "resolution_limits": [4.84,4.33],
      "number_observations_unique": 505,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.147
        },
        {
          "type": "R(meas)",
          "value": 0.154
        },
        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    },
    {
      "resolution_limits": [5.57,4.84],
      "number_observations_unique": 456,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.129
        },
        {
          "type": "R(meas)",
          "value": 0.135
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [6.8,5.57],
      "number_observations_unique": 397,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.104
        },
        {
          "type": "R(meas)",
          "value": 0.109
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [9.52,6.80],
      "number_observations_unique": 325,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.066
        },
        {
          "type": "R(meas)",
          "value": 0.069
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [46.67,9.52],
      "number_observations_unique": 205,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.045
        },
        {
          "type": "R(meas)",
          "value": 0.048
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 46.670 46.670 3.660
High resolution limit [Å] 3.230 9.520 3.430
R(merge) 0.1700 0.0450 1.0630
R(meas) 0.1780 0.0480 1.1090
CC(1/2) 0.997 0.997 0.832
Completeness [%] 99.8 - -
Multiplicity 12.1 - -


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

Resolution [Å] R(merge) R(meas) CC(1/2)
46.670-9.520 0.0450 0.0480 0.997
9.520-6.800 0.0660 0.0690 0.998
6.800-5.570 0.1040 0.1090 0.997
5.570-4.840 0.1290 0.1350 0.997
4.840-4.330 0.1470 0.1540 0.995
4.330-3.960 0.3020 0.3150 0.990
3.960-3.660 0.5930 0.6190 0.960
3.660-3.430 1.0630 1.1090 0.832
3.430-3.230 1.7320 1.8040 0.611