Data quality metrics extracted from 9ppv.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": "1456efca4dbe5a214a70114e5944a412",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 30.7,
    "b": 57.9,
    "c": 58.2,
    "alpha": 90.0,
    "beta": 91.1,
    "gamma": 90.0
  },
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [19.89,3.0],
    "number_observations": 202405,
    "number_observations_unique": 7771,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.571
      },
      {
        "type": "R(meas)",
        "value": 0.582
      },
      {
        "type": "I/SigI",
        "value": 5.68
      },
      {
        "type": "Completeness",
        "value": 99.4
      },
      {
        "type": "CC(1/2)",
        "value": 0.82
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.44,3.00],
      "number_observations": 44036,
      "number_observations_unique": 2597,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.637
        },
        {
          "type": "R(meas)",
          "value": 1.684
        },
        {
          "type": "I/SigI",
          "value": 2.38
        },
        {
          "type": "CC(1/2)",
          "value": 0.611
        }
      ]
    },
    {
      "resolution_limits": [4.33,3.44],
      "number_observations": 79110,
      "number_observations_unique": 2575,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.722
        },
        {
          "type": "R(meas)",
          "value": 0.734
        },
        {
          "type": "I/SigI",
          "value": 5.97
        },
        {
          "type": "CC(1/2)",
          "value": 0.966
        }
      ]
    },
    {
      "resolution_limits": [30.69,4.33],
      "number_observations": 79259,
      "number_observations_unique": 2599,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.435
        },
        {
          "type": "R(meas)",
          "value": 0.443
        },
        {
          "type": "I/SigI",
          "value": 8.70
        },
        {
          "type": "CC(1/2)",
          "value": 0.813
        }
      ]
    }
  ]

}
  

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


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