Data quality metrics extracted from 9pse.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": "d2aacf84a8fc72d73bcf02c51fb187b6",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 30.2,
    "b": 57.8,
    "c": 58.6,
    "alpha": 90.0,
    "beta": 91.2,
    "gamma": 90.0
  },
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [30.69,3.0],
    "number_observations": 35354,
    "number_observations_unique": 6805,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.66
      },
      {
        "type": "R(meas)",
        "value": 0.724
      },
      {
        "type": "I/SigI",
        "value": 2.47
      },
      {
        "type": "Completeness",
        "value": 85.7
      },
      {
        "type": "CC(1/2)",
        "value": 0.682
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.44,3.00],
      "number_observations": 6335,
      "number_observations_unique": 1878,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.376
        },
        {
          "type": "R(meas)",
          "value": 1.585
        },
        {
          "type": "I/SigI",
          "value": 1.16
        },
        {
          "type": "CC(1/2)",
          "value": 0.275
        }
      ]
    },
    {
      "resolution_limits": [4.33,3.44],
      "number_observations": 13080,
      "number_observations_unique": 2346,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.771
        },
        {
          "type": "R(meas)",
          "value": 0.837
        },
        {
          "type": "I/SigI",
          "value": 2.43
        },
        {
          "type": "CC(1/2)",
          "value": 0.783
        }
      ]
    },
    {
      "resolution_limits": [30.69,4.33],
      "number_observations": 15939,
      "number_observations_unique": 2581,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.552
        },
        {
          "type": "R(meas)",
          "value": 0.604
        },
        {
          "type": "I/SigI",
          "value": 3.47
        },
        {
          "type": "CC(1/2)",
          "value": 0.663
        }
      ]
    }
  ]

}
  

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


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