Data quality metrics extracted from 7not.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": "120bb9c2c73dba1879cb0671e1ab39db",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 83.40,
    "b": 132.00,
    "c": 124.55,
    "alpha": 90.00,
    "beta": 97.06,
    "gamma": 90.00
  },
  "wavelengths": [0.97625],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [63.910,2.540],
    "number_observations": 463192,
    "number_observations_unique": 87548,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.235
      },
      {
        "type": "R(meas)",
        "value": 0.260
      },
      {
        "type": "R(pim)",
        "value": 0.110
      },
      {
        "type": "I/SigI",
        "value": 7.300
      },
      {
        "type": "Completeness",
        "value": 99.300
      },
      {
        "type": "Redundancy",
        "value": 5.300
      },
      {
        "type": "CC(1/2)",
        "value": 0.986
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.610,2.540],
      "number_observations": 36392,
      "number_observations_unique": 6486,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.353
        },
        {
          "type": "R(meas)",
          "value": 2.598
        },
        {
          "type": "R(pim)",
          "value": 1.082
        },
        {
          "type": "I/SigI",
          "value": 0.800
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 5.600
        },
        {
          "type": "CC(1/2)",
          "value": 0.317
        }
      ]
    },
    {
      "resolution_limits": [63.910,11.360],
      "number_observations": 5190,
      "number_observations_unique": 993,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.055
        },
        {
          "type": "R(meas)",
          "value": 0.062
        },
        {
          "type": "R(pim)",
          "value": 0.027
        },
        {
          "type": "I/SigI",
          "value": 26.100
        },
        {
          "type": "Completeness",
          "value": 96.600
        },
        {
          "type": "Redundancy",
          "value": 5.200
        },
        {
          "type": "CC(1/2)",
          "value": 0.990
        }
      ]
    }
  ]

}
  

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


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