Data quality metrics extracted from 5rxr.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": "e808f20006bb1303aa2084ca8bea5405",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 62.44,
    "b": 79.05,
    "c": 89.10,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.91589],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [89.100,1.400],
    "number_observations": 538738,
    "number_observations_unique": 87448,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.117
      },
      {
        "type": "R(meas)",
        "value": 0.127
      },
      {
        "type": "R(pim)",
        "value": 0.050
      },
      {
        "type": "I/SigI",
        "value": 8.400
      },
      {
        "type": "Completeness",
        "value": 100.000
      },
      {
        "type": "Redundancy",
        "value": 6.200
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.440,1.400],
      "number_observations": 29275,
      "number_observations_unique": 6383,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.329
        },
        {
          "type": "R(meas)",
          "value": 1.505
        },
        {
          "type": "R(pim)",
          "value": 0.699
        },
        {
          "type": "I/SigI",
          "value": 1.000
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 4.600
        },
        {
          "type": "CC(1/2)",
          "value": 0.485
        }
      ]
    },
    {
      "resolution_limits": [89.100,6.260],
      "number_observations": 6662,
      "number_observations_unique": 1122,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.047
        },
        {
          "type": "R(meas)",
          "value": 0.051
        },
        {
          "type": "R(pim)",
          "value": 0.021
        },
        {
          "type": "I/SigI",
          "value": 27.200
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 5.900
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell
Low resolution limit [Å] 89.100 89.100
High resolution limit [Å] 1.400 6.260
R(merge) 0.1170 0.0470
R(meas) 0.1270 0.0510
R(pim) 0.0500 0.0210
CC(1/2) 0.997 0.998
Completeness [%] 100.0 99.9
Multiplicity 6.2 5.9


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

Resolution [Å] R(merge) R(meas) R(pim) CC(1/2) Completeness [%] Multiplicity
89.100-6.260 0.0470 0.0510 0.0210 0.998 99.9 5.9
1.440-1.400 1.3290 1.5050 0.6990 0.485 100.0 4.6