Data quality metrics extracted from 7rum.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": "222431ea82907d9b1d68bb35404f96d1",
  "space_group_name": "P 65 2 2",
  "unit_cell": {
    "a": 106.928,
    "b": 106.928,
    "c": 369.259,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.95370],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [49.040,2.990],
    "number_observations": 487418,
    "number_observations_unique": 26401,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.521
      },
      {
        "type": "R(meas)",
        "value": 0.535
      },
      {
        "type": "R(pim)",
        "value": 0.124
      },
      {
        "type": "I/SigI",
        "value": 6.600
      },
      {
        "type": "Completeness",
        "value": 99.900
      },
      {
        "type": "Redundancy",
        "value": 18.500
      },
      {
        "type": "CC(1/2)",
        "value": 0.974
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.170,2.990],
      "number_observations": 70198,
      "number_observations_unique": 4115,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 3.403
        },
        {
          "type": "R(meas)",
          "value": 3.509
        },
        {
          "type": "R(pim)",
          "value": 0.841
        },
        {
          "type": "I/SigI",
          "value": 1.100
        },
        {
          "type": "Completeness",
          "value": 99.500
        },
        {
          "type": "Redundancy",
          "value": 17.100
        },
        {
          "type": "CC(1/2)",
          "value": 0.554
        }
      ]
    },
    {
      "resolution_limits": [49.040,8.970],
      "number_observations": 18573,
      "number_observations_unique": 1164,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.092
        },
        {
          "type": "R(meas)",
          "value": 0.095
        },
        {
          "type": "R(pim)",
          "value": 0.024
        },
        {
          "type": "I/SigI",
          "value": 19.700
        },
        {
          "type": "Completeness",
          "value": 99.500
        },
        {
          "type": "Redundancy",
          "value": 16.000
        },
        {
          "type": "CC(1/2)",
          "value": 0.971
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell
Low resolution limit [Å] 49.040 49.040
High resolution limit [Å] 2.990 8.970
R(merge) 0.5210 0.0920
R(meas) 0.5350 0.0950
R(pim) 0.1240 0.0240
CC(1/2) 0.974 0.971
Completeness [%] 99.9 99.5
Multiplicity 18.5 16.0


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

Resolution [Å] R(merge) R(meas) R(pim) CC(1/2) Completeness [%] Multiplicity
49.040-8.970 0.0920 0.0950 0.0240 0.971 99.5 16.0
3.170-2.990 3.4030 3.5090 0.8410 0.554 99.5 17.1