Data quality metrics extracted from 7pcj.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": "38178180e375ea54197fb7534f536742",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 42.474,
    "b": 70.891,
    "c": 64.090,
    "alpha": 90.0,
    "beta": 102.7,
    "gamma": 90.0
  },
  "wavelengths": [0.98010],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [62.520,1.91],
    "number_observations_unique": 28858,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.191
      },
      {
        "type": "R(meas)",
        "value": 0.196
      },
      {
        "type": "R(pim)",
        "value": 0.044
      },
      {
        "type": "I/SigI",
        "value": 10.900
      },
      {
        "type": "Completeness",
        "value": 100
      },
      {
        "type": "Redundancy",
        "value": 19.700
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.320,2.200],
      "number_observations": 44769,
      "number_observations_unique": 2709,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.206
        },
        {
          "type": "R(meas)",
          "value": 1.244
        },
        {
          "type": "R(pim)",
          "value": 0.300
        },
        {
          "type": "I/SigI",
          "value": 3.100
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 16.500
        },
        {
          "type": "CC(1/2)",
          "value": 0.818
        }
      ]
    },
    {
      "resolution_limits": [62.520,6.970],
      "number_observations": 12519,
      "number_observations_unique": 627,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.095
        },
        {
          "type": "R(meas)",
          "value": 0.098
        },
        {
          "type": "R(pim)",
          "value": 0.021
        },
        {
          "type": "I/SigI",
          "value": 22.300
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 20.000
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell
Low resolution limit [Å] 62.520 62.520
High resolution limit [Å] 1.910 6.970
R(merge) 0.1910 0.0950
R(meas) 0.1960 0.0980
R(pim) 0.0440 0.0210
CC(1/2) 0.997 0.997
Completeness [%] 100.0 99.9
Multiplicity 19.7 20.0


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

Resolution [Å] R(merge) R(meas) R(pim) CC(1/2) Completeness [%] Multiplicity
62.520-6.970 0.0950 0.0980 0.0210 0.997 99.9 20.0
2.320-2.200 1.2060 1.2440 0.3000 0.818 100.0 16.5