Data quality metrics extracted from 3pzc.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": "64d41091174b2d2b00094710a296d1eb",
  "space_group_name": "P 21 21 2",
  "unit_cell": {
    "a": 128.194,
    "b": 101.791,
    "c": 50.623,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.54056],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [20.86,2.20],
    "number_observations_unique": 32404,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.075
      },
      {
        "type": "I/SigI",
        "value": 15.6755
      },
      {
        "type": "Completeness",
        "value": 99.85
      },
      {
        "type": "Redundancy",
        "value": 4.95
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.32,2.20],
      "number_observations": 15675,
      "number_observations_unique": 4952,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.44
        },
        {
          "type": "Completeness",
          "value": 99.89
        },
        {
          "type": "Redundancy",
          "value": 3.17
        }
      ]
    },
    {
      "resolution_limits": [2.46,2.32],
      "number_observations": 15966,
      "number_observations_unique": 4668,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.33
        },
        {
          "type": "Completeness",
          "value": 99.98
        },
        {
          "type": "Redundancy",
          "value": 3.42
        }
      ]
    },
    {
      "resolution_limits": [2.63,2.46],
      "number_observations": 18059,
      "number_observations_unique": 4418,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.26
        },
        {
          "type": "Completeness",
          "value": 99.94
        },
        {
          "type": "Redundancy",
          "value": 4.09
        }
      ]
    },
    {
      "resolution_limits": [2.84,2.63],
      "number_observations": 19377,
      "number_observations_unique": 4141,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.19
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 4.68
        }
      ]
    },
    {
      "resolution_limits": [3.11,2.84],
      "number_observations": 19107,
      "number_observations_unique": 3813,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.13
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 5.01
        }
      ]
    },
    {
      "resolution_limits": [3.48,3.11],
      "number_observations": 19219,
      "number_observations_unique": 3464,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.08
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 5.55
        }
      ]
    },
    {
      "resolution_limits": [4.02,3.48],
      "number_observations": 21285,
      "number_observations_unique": 3081,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.05
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 6.91
        }
      ]
    },
    {
      "resolution_limits": [4.92,4.02],
      "number_observations": 19357,
      "number_observations_unique": 2645,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.03
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 7.32
        }
      ]
    },
    {
      "resolution_limits": [6.96,4.92],
      "number_observations": 14790,
      "number_observations_unique": 2072,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.03
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 7.14
        }
      ]
    },
    {
      "resolution_limits": [20.86,6.96],
      "number_observations": 7576,
      "number_observations_unique": 1177,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.02
        },
        {
          "type": "Completeness",
          "value": 96.00
        },
        {
          "type": "Redundancy",
          "value": 6.44
        }
      ]
    }
  ]

}
  

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


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