Data quality metrics extracted from 5rm4.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": "5b752be60ee1313f99f0e9dbc5412f31",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 59.219,
    "b": 70.367,
    "c": 85.533,
    "alpha": 102.41,
    "beta": 96.27,
    "gamma": 112.45
  },
  "wavelengths": [0.91260],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [81.750,2.960],
    "number_observations": 76174,
    "number_observations_unique": 24003,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.212
      },
      {
        "type": "R(meas)",
        "value": 0.270
      },
      {
        "type": "R(pim)",
        "value": 0.163
      },
      {
        "type": "I/SigI",
        "value": 6.800
      },
      {
        "type": "Completeness",
        "value": 94.000
      },
      {
        "type": "Redundancy",
        "value": 3.200
      },
      {
        "type": "CC(1/2)",
        "value": 0.729
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.140,2.960],
      "number_observations": 10635,
      "number_observations_unique": 3703,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.922
        },
        {
          "type": "R(meas)",
          "value": 1.230
        },
        {
          "type": "R(pim)",
          "value": 0.803
        },
        {
          "type": "I/SigI",
          "value": 3.500
        },
        {
          "type": "Completeness",
          "value": 89.900
        },
        {
          "type": "Redundancy",
          "value": 2.900
        },
        {
          "type": "CC(1/2)",
          "value": 0.231
        }
      ]
    },
    {
      "resolution_limits": [81.750,8.870],
      "number_observations": 3246,
      "number_observations_unique": 941,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.057
        },
        {
          "type": "R(meas)",
          "value": 0.069
        },
        {
          "type": "R(pim)",
          "value": 0.038
        },
        {
          "type": "I/SigI",
          "value": 11.100
        },
        {
          "type": "Completeness",
          "value": 98.700
        },
        {
          "type": "Redundancy",
          "value": 3.400
        },
        {
          "type": "CC(1/2)",
          "value": 0.967
        }
      ]
    }
  ]

}
  

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


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