Data quality metrics extracted from 4zrx.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": "6e9de614bcf814f68000c5eaca9a807f",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 63.021,
    "b": 71.754,
    "c": 73.106,
    "alpha": 90.00,
    "beta": 106.98,
    "gamma": 90.00
  },
  "wavelengths": [0.97923],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [28.599,1.59],
    "number_observations": 514757,
    "number_observations_unique": 81860,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.043
      },
      {
        "type": "R(meas)",
        "value": 0.052
      },
      {
        "type": "I/SigI",
        "value": 14.680
      },
      {
        "type": "Completeness",
        "value": 97.500
      },
      {
        "type": "Redundancy",
        "value": 3.200
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.650,1.590],
      "number_observations": 54189,
      "number_observations_unique": 16765,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.576
        },
        {
          "type": "R(meas)",
          "value": 0.691
        },
        {
          "type": "I/SigI",
          "value": 2.0
        },
        {
          "type": "Completeness",
          "value": 96.400
        }
      ]
    },
    {
      "resolution_limits": [1.710,1.650],
      "number_observations": 46827,
      "number_observations_unique": 14498,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.418
        },
        {
          "type": "R(meas)",
          "value": 0.501
        },
        {
          "type": "I/SigI",
          "value": 2.7
        },
        {
          "type": "Completeness",
          "value": 96.800
        }
      ]
    },
    {
      "resolution_limits": [1.790,1.710],
      "number_observations": 53303,
      "number_observations_unique": 16484,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.301
        },
        {
          "type": "R(meas)",
          "value": 0.361
        },
        {
          "type": "I/SigI",
          "value": 3.7
        },
        {
          "type": "Completeness",
          "value": 97.200
        }
      ]
    },
    {
      "resolution_limits": [1.880,1.790],
      "number_observations": 50041,
      "number_observations_unique": 15447,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.193
        },
        {
          "type": "R(meas)",
          "value": 0.231
        },
        {
          "type": "I/SigI",
          "value": 5.7
        },
        {
          "type": "Completeness",
          "value": 97.700
        }
      ]
    },
    {
      "resolution_limits": [2.000,1.880],
      "number_observations": 53243,
      "number_observations_unique": 16478,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.127
        },
        {
          "type": "R(meas)",
          "value": 0.152
        },
        {
          "type": "I/SigI",
          "value": 8.4
        },
        {
          "type": "Completeness",
          "value": 97.600
        }
      ]
    },
    {
      "resolution_limits": [2.160,2.000],
      "number_observations": 53973,
      "number_observations_unique": 16752,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.082
        },
        {
          "type": "R(meas)",
          "value": 0.098
        },
        {
          "type": "I/SigI",
          "value": 12.5
        },
        {
          "type": "Completeness",
          "value": 98.000
        }
      ]
    },
    {
      "resolution_limits": [2.370,2.160],
      "number_observations": 50125,
      "number_observations_unique": 15734,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.057
        },
        {
          "type": "R(meas)",
          "value": 0.068
        },
        {
          "type": "I/SigI",
          "value": 17.2
        },
        {
          "type": "Completeness",
          "value": 98.200
        }
      ]
    },
    {
      "resolution_limits": [2.720,2.370],
      "number_observations": 52429,
      "number_observations_unique": 16609,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.042
        },
        {
          "type": "R(meas)",
          "value": 0.051
        },
        {
          "type": "I/SigI",
          "value": 22.7
        },
        {
          "type": "Completeness",
          "value": 98.400
        }
      ]
    },
    {
      "resolution_limits": [3.420,2.720],
      "number_observations": 50193,
      "number_observations_unique": 16027,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.030
        },
        {
          "type": "R(meas)",
          "value": 0.036
        },
        {
          "type": "I/SigI",
          "value": 31.0
        },
        {
          "type": "Completeness",
          "value": 97.800
        }
      ]
    },
    {
      "resolution_limits": [28.599,3.420],
      "number_observations": 50434,
      "number_observations_unique": 16058,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.023
        },
        {
          "type": "R(meas)",
          "value": 0.027
        },
        {
          "type": "I/SigI",
          "value": 40.2
        },
        {
          "type": "Completeness",
          "value": 96.700
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 28.599 28.599 1.710
High resolution limit [Å] 1.590 3.420 1.650
R(merge) 0.0430 0.0230 0.4180
R(meas) 0.0520 0.0270 0.5010
Completeness [%] 97.5 96.7 96.8
Multiplicity 3.2 - -


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

Resolution [Å] R(merge) R(meas) Completeness [%]
28.599-3.420 0.0230 0.0270 96.7
3.420-2.720 0.0300 0.0360 97.8
2.720-2.370 0.0420 0.0510 98.4
2.370-2.160 0.0570 0.0680 98.2
2.160-2.000 0.0820 0.0980 98.0
2.000-1.880 0.1270 0.1520 97.6
1.880-1.790 0.1930 0.2310 97.7
1.790-1.710 0.3010 0.3610 97.2
1.710-1.650 0.4180 0.5010 96.8
1.650-1.590 0.5760 0.6910 96.4