Data quality metrics extracted from 9n9a.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.3",
  "uuid": "82c6e3ace79e0fdba8064ddbab268d48",
  "space_group_name": "H 3 2",
  "unit_cell": {
    "a": 76.61,
    "b": 76.61,
    "c": 191.15,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.95375],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [38.78,1.9],
    "number_observations_unique": 17408,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.238
      },
      {
        "type": "R(meas)",
        "value": 0.251
      },
      {
        "type": "R(pim)",
        "value": 0.081
      },
      {
        "type": "I/SigI",
        "value": 5.6
      },
      {
        "type": "Completeness",
        "value": 99.7
      },
      {
        "type": "Redundancy",
        "value": 10.1
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.97,1.9],
      "number_observations_unique": 1712,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.90
        }
      ]
    },
    {
      "resolution_limits": [2.05,1.97],
      "number_observations_unique": 1724,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.90
        }
      ]
    },
    {
      "resolution_limits": [2.14,2.05],
      "number_observations_unique": 1712,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.94
        }
      ]
    },
    {
      "resolution_limits": [2.25,2.14],
      "number_observations_unique": 1713,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.95
        }
      ]
    },
    {
      "resolution_limits": [2.39,2.25],
      "number_observations_unique": 1723,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.94
        }
      ]
    },
    {
      "resolution_limits": [2.58,2.39],
      "number_observations_unique": 1729,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.95
        }
      ]
    },
    {
      "resolution_limits": [2.84,2.58],
      "number_observations_unique": 1735,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.97
        }
      ]
    },
    {
      "resolution_limits": [3.25,2.84],
      "number_observations_unique": 1768,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.97
        }
      ]
    },
    {
      "resolution_limits": [4.09,3.25],
      "number_observations_unique": 1768,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.94
        }
      ]
    },
    {
      "resolution_limits": [38.78,4.09],
      "number_observations_unique": 1852,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.97
        }
      ]
    }
  ]

}
  

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


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