Data quality metrics extracted from 7lca.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": "4aec886b6b88e5ef977b61eb65330379",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 84.45,
    "b": 79.34,
    "c": 149.14,
    "alpha": 90.00,
    "beta": 92.86,
    "gamma": 90.00
  },
  "wavelengths": [0.95370],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [46.430,2.000],
    "number_observations": 945765,
    "number_observations_unique": 132236,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.453
      },
      {
        "type": "R(meas)",
        "value": 0.489
      },
      {
        "type": "R(pim)",
        "value": 0.181
      },
      {
        "type": "I/SigI",
        "value": 4.000
      },
      {
        "type": "Completeness",
        "value": 99.800
      },
      {
        "type": "Redundancy",
        "value": 7.200
      },
      {
        "type": "CC(1/2)",
        "value": 0.967
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.040,2.000],
      "number_observations": 36673,
      "number_observations_unique": 6307,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 3.095
        },
        {
          "type": "R(meas)",
          "value": 3.389
        },
        {
          "type": "R(pim)",
          "value": 1.352
        },
        {
          "type": "I/SigI",
          "value": 0.600
        },
        {
          "type": "Completeness",
          "value": 96.200
        },
        {
          "type": "Redundancy",
          "value": 5.800
        },
        {
          "type": "CC(1/2)",
          "value": 0.288
        }
      ]
    },
    {
      "resolution_limits": [46.430,10.970],
      "number_observations": 5793,
      "number_observations_unique": 864,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.098
        },
        {
          "type": "R(meas)",
          "value": 0.107
        },
        {
          "type": "R(pim)",
          "value": 0.040
        },
        {
          "type": "I/SigI",
          "value": 11.700
        },
        {
          "type": "Completeness",
          "value": 98.800
        },
        {
          "type": "Redundancy",
          "value": 6.700
        },
        {
          "type": "CC(1/2)",
          "value": 0.994
        }
      ]
    }
  ]

}
  

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


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