Data quality metrics extracted from 1zkz.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": "532e654462134dc3f11232e473191e3d",
  "space_group_name": "I 41 2 2",
  "unit_cell": {
    "a": 71.234,
    "b": 71.234,
    "c": 144.897,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [23.8,2.32],
    "number_observations_unique": 8142,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.077
      },
      {
        "type": "Redundancy",
        "value": 13.500
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.40,2.32],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.357
        },
        {
          "type": "Redundancy",
          "value": 11.300
        }
      ]
    },
    {
      "resolution_limits": [2.50,2.40],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.328
        },
        {
          "type": "Redundancy",
          "value": 12.700
        }
      ]
    },
    {
      "resolution_limits": [2.61,2.50],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.27
        },
        {
          "type": "Redundancy",
          "value": 13.700
        }
      ]
    },
    {
      "resolution_limits": [2.75,2.61],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.192
        },
        {
          "type": "Redundancy",
          "value": 14.100
        }
      ]
    },
    {
      "resolution_limits": [2.92,2.75],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.145
        },
        {
          "type": "Redundancy",
          "value": 14.300
        }
      ]
    },
    {
      "resolution_limits": [3.15,2.92],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.099
        },
        {
          "type": "Redundancy",
          "value": 14.200
        }
      ]
    },
    {
      "resolution_limits": [3.47,3.15],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.082
        },
        {
          "type": "Redundancy",
          "value": 14.200
        }
      ]
    },
    {
      "resolution_limits": [3.97,3.47],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.08
        },
        {
          "type": "Redundancy",
          "value": 13.900
        }
      ]
    },
    {
      "resolution_limits": [5.00,3.97],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.07
        },
        {
          "type": "Redundancy",
          "value": 13.500
        }
      ]
    },
    {
      "resolution_limits": [50.00,5.00],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.045
        },
        {
          "type": "Redundancy",
          "value": 12.600
        }
      ]
    }
  ]

}
  

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


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