Data quality metrics extracted from 3pcq.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": "167a57b01e83e6f152610b29be263759",
  "space_group_name": "P 63",
  "unit_cell": {
    "a": 281.0,
    "b": 281.0,
    "c": 165.2,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [6.90000,1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [243.47,8.66],
    "number_observations_unique": 6111,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 11.11
      },
      {
        "type": "Completeness",
        "value": 91.52
      },
      {
        "type": "Redundancy",
        "value": 738
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [9.0,8.66],
      "number_observations_unique": 474,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 2.75
        },
        {
          "type": "Completeness",
          "value": 70.5
        },
        {
          "type": "Redundancy",
          "value": 11
        }
      ]
    },
    {
      "resolution_limits": [9.86,9.0],
      "number_observations_unique": 1339,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 3.0816
        },
        {
          "type": "Completeness",
          "value": 100
        },
        {
          "type": "Redundancy",
          "value": 123.4
        }
      ]
    },
    {
      "resolution_limits": [11.02,9.86],
      "number_observations_unique": 1214,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 7.68875
        },
        {
          "type": "Completeness",
          "value": 100
        },
        {
          "type": "Redundancy",
          "value": 496.2
        }
      ]
    },
    {
      "resolution_limits": [12.73,11.02],
      "number_observations_unique": 1067,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 13.2084
        },
        {
          "type": "Completeness",
          "value": 100
        },
        {
          "type": "Redundancy",
          "value": 937.9
        }
      ]
    },
    {
      "resolution_limits": [15.59,12.73],
      "number_observations_unique": 910,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 12.736
        },
        {
          "type": "Completeness",
          "value": 100
        },
        {
          "type": "Redundancy",
          "value": 1265.5
        }
      ]
    },
    {
      "resolution_limits": [22.05,15.59],
      "number_observations_unique": 706,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 16.2406
        },
        {
          "type": "Completeness",
          "value": 100
        },
        {
          "type": "Redundancy",
          "value": 1407.2
        }
      ]
    },
    {
      "resolution_limits": [83,22.05],
      "number_observations_unique": 401,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 14.2447
        },
        {
          "type": "Completeness",
          "value": 98
        },
        {
          "type": "Redundancy",
          "value": 1480.2
        }
      ]
    }
  ]

}
  

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


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