Data quality metrics extracted from 7op2.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": "8de0fa93caec5badba0fec248b240284",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 98.427,
    "b": 112.260,
    "c": 98.605,
    "alpha": 90.00,
    "beta": 92.61,
    "gamma": 90.00
  },
  "wavelengths": [0.97628],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [74.040,1.590],
    "number_observations": 3635051,
    "number_observations_unique": 286462,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.288
      },
      {
        "type": "R(meas)",
        "value": 0.300
      },
      {
        "type": "R(pim)",
        "value": 0.084
      },
      {
        "type": "I/SigI",
        "value": 5.700
      },
      {
        "type": "Completeness",
        "value": 100.000
      },
      {
        "type": "Redundancy",
        "value": 12.700
      },
      {
        "type": "CC(1/2)",
        "value": 0.996
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.680,1.590],
      "number_observations": 557114,
      "number_observations_unique": 41679,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 3.342
        },
        {
          "type": "R(meas)",
          "value": 3.476
        },
        {
          "type": "R(pim)",
          "value": 0.948
        },
        {
          "type": "I/SigI",
          "value": 0.800
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 13.400
        },
        {
          "type": "CC(1/2)",
          "value": 0.367
        }
      ]
    },
    {
      "resolution_limits": [74.040,5.030],
      "number_observations": 133411,
      "number_observations_unique": 9275,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.094
        },
        {
          "type": "R(meas)",
          "value": 0.097
        },
        {
          "type": "R(pim)",
          "value": 0.025
        },
        {
          "type": "I/SigI",
          "value": 19.700
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 14.400
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    }
  ]

}
  

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


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