Data quality metrics extracted from 5rx1.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": "3e90c5e772c686535eb0e528feaa38b8",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 62.67,
    "b": 79.21,
    "c": 89.50,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.91589],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [43.080,1.310],
    "number_observations": 688465,
    "number_observations_unique": 107527,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.075
      },
      {
        "type": "R(meas)",
        "value": 0.082
      },
      {
        "type": "R(pim)",
        "value": 0.032
      },
      {
        "type": "I/SigI",
        "value": 12.000
      },
      {
        "type": "Completeness",
        "value": 100.000
      },
      {
        "type": "Redundancy",
        "value": 6.400
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.340,1.310],
      "number_observations": 42059,
      "number_observations_unique": 7850,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.453
        },
        {
          "type": "R(meas)",
          "value": 1.612
        },
        {
          "type": "R(pim)",
          "value": 0.694
        },
        {
          "type": "I/SigI",
          "value": 1.100
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 5.400
        },
        {
          "type": "CC(1/2)",
          "value": 0.516
        }
      ]
    },
    {
      "resolution_limits": [43.080,5.860],
      "number_observations": 8560,
      "number_observations_unique": 1362,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.033
        },
        {
          "type": "R(meas)",
          "value": 0.036
        },
        {
          "type": "R(pim)",
          "value": 0.014
        },
        {
          "type": "I/SigI",
          "value": 43.500
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 6.300
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell
Low resolution limit [Å] 43.080 43.080
High resolution limit [Å] 1.310 5.860
R(merge) 0.0750 0.0330
R(meas) 0.0820 0.0360
R(pim) 0.0320 0.0140
CC(1/2) 0.999 0.999
Completeness [%] 100.0 99.8
Multiplicity 6.4 6.3


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

Resolution [Å] R(merge) R(meas) R(pim) CC(1/2) Completeness [%] Multiplicity
43.080-5.860 0.0330 0.0360 0.0140 0.999 99.8 6.3
1.340-1.310 1.4530 1.6120 0.6940 0.516 100.0 5.4