Data quality metrics extracted from 5rln.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": "98633cf57ce6762619b345c562d13cae",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 59.108,
    "b": 70.366,
    "c": 85.925,
    "alpha": 102.79,
    "beta": 96.70,
    "gamma": 112.26
  },
  "wavelengths": [0.91260],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [81.680,2.150],
    "number_observations": 219636,
    "number_observations_unique": 64511,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.114
      },
      {
        "type": "R(meas)",
        "value": 0.136
      },
      {
        "type": "R(pim)",
        "value": 0.073
      },
      {
        "type": "I/SigI",
        "value": 6.700
      },
      {
        "type": "Completeness",
        "value": 97.000
      },
      {
        "type": "Redundancy",
        "value": 3.400
      },
      {
        "type": "CC(1/2)",
        "value": 0.989
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.200,2.150],
      "number_observations": 15497,
      "number_observations_unique": 4502,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.388
        },
        {
          "type": "R(meas)",
          "value": 1.656
        },
        {
          "type": "R(pim)",
          "value": 0.889
        },
        {
          "type": "I/SigI",
          "value": 1.100
        },
        {
          "type": "Completeness",
          "value": 95.100
        },
        {
          "type": "Redundancy",
          "value": 3.400
        },
        {
          "type": "CC(1/2)",
          "value": 0.486
        }
      ]
    },
    {
      "resolution_limits": [81.680,9.840],
      "number_observations": 2623,
      "number_observations_unique": 678,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.040
        },
        {
          "type": "R(meas)",
          "value": 0.048
        },
        {
          "type": "R(pim)",
          "value": 0.025
        },
        {
          "type": "I/SigI",
          "value": 27.000
        },
        {
          "type": "Completeness",
          "value": 98.400
        },
        {
          "type": "Redundancy",
          "value": 3.900
        },
        {
          "type": "CC(1/2)",
          "value": 0.991
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell
Low resolution limit [Å] 81.680 81.680
High resolution limit [Å] 2.150 9.840
R(merge) 0.1140 0.0400
R(meas) 0.1360 0.0480
R(pim) 0.0730 0.0250
CC(1/2) 0.989 0.991
Completeness [%] 97.0 98.4
Multiplicity 3.4 3.9


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

Resolution [Å] R(merge) R(meas) R(pim) CC(1/2) Completeness [%] Multiplicity
81.680-9.840 0.0400 0.0480 0.0250 0.991 98.4 3.9
2.200-2.150 1.3880 1.6560 0.8890 0.486 95.1 3.4