Data quality metrics extracted from 5rlp.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": "15abb021945910dcadeef13dda0b3e6a",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 59.200,
    "b": 70.258,
    "c": 85.676,
    "alpha": 102.75,
    "beta": 96.19,
    "gamma": 112.40
  },
  "wavelengths": [0.91260],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [81.700,2.560],
    "number_observations": 127371,
    "number_observations_unique": 38055,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.148
      },
      {
        "type": "R(meas)",
        "value": 0.180
      },
      {
        "type": "R(pim)",
        "value": 0.100
      },
      {
        "type": "I/SigI",
        "value": 6.400
      },
      {
        "type": "Completeness",
        "value": 97.400
      },
      {
        "type": "Redundancy",
        "value": 3.300
      },
      {
        "type": "CC(1/2)",
        "value": 0.967
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.680,2.560],
      "number_observations": 15042,
      "number_observations_unique": 4538,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.200
        },
        {
          "type": "R(meas)",
          "value": 1.481
        },
        {
          "type": "R(pim)",
          "value": 0.849
        },
        {
          "type": "I/SigI",
          "value": 1.600
        },
        {
          "type": "Completeness",
          "value": 94.100
        },
        {
          "type": "Redundancy",
          "value": 3.300
        },
        {
          "type": "CC(1/2)",
          "value": 0.327
        }
      ]
    },
    {
      "resolution_limits": [81.700,8.880],
      "number_observations": 3354,
      "number_observations_unique": 936,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.038
        },
        {
          "type": "R(meas)",
          "value": 0.046
        },
        {
          "type": "R(pim)",
          "value": 0.024
        },
        {
          "type": "I/SigI",
          "value": 17.200
        },
        {
          "type": "Completeness",
          "value": 98.600
        },
        {
          "type": "Redundancy",
          "value": 3.600
        },
        {
          "type": "CC(1/2)",
          "value": 0.991
        }
      ]
    }
  ]

}
  

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


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