Data quality metrics extracted from 4z1n.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": "55d9adee7d7578a490a38e59d4a4114c",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 42.230,
    "b": 41.295,
    "c": 72.349,
    "alpha": 90.00,
    "beta": 104.51,
    "gamma": 90.00
  },
  "wavelengths": [0.91841],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.0,1.470],
    "number_observations": 90583,
    "number_observations_unique": 69904,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.109
      },
      {
        "type": "R(meas)",
        "value": 0.154
      },
      {
        "type": "I/SigI",
        "value": 6.440
      },
      {
        "type": "Completeness",
        "value": 86.600
      },
      {
        "type": "Redundancy",
        "value": 1.3
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.560,1.470],
      "number_observations": 14134,
      "number_observations_unique": 10609,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.440
        },
        {
          "type": "R(meas)",
          "value": 0.621
        },
        {
          "type": "I/SigI",
          "value": 2.240
        },
        {
          "type": "Completeness",
          "value": 81.500
        }
      ]
    },
    {
      "resolution_limits": [1.670,1.560],
      "number_observations": 13776,
      "number_observations_unique": 10342,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.374
        },
        {
          "type": "R(meas)",
          "value": 0.528
        },
        {
          "type": "I/SigI",
          "value": 2.900
        },
        {
          "type": "Completeness",
          "value": 84.400
        }
      ]
    },
    {
      "resolution_limits": [1.800,1.670],
      "number_observations": 12862,
      "number_observations_unique": 9743,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.273
        },
        {
          "type": "R(meas)",
          "value": 0.385
        },
        {
          "type": "I/SigI",
          "value": 3.950
        },
        {
          "type": "Completeness",
          "value": 85.300
        }
      ]
    },
    {
      "resolution_limits": [1.970,1.800],
      "number_observations": 11855,
      "number_observations_unique": 9097,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.176
        },
        {
          "type": "R(meas)",
          "value": 0.248
        },
        {
          "type": "I/SigI",
          "value": 5.810
        },
        {
          "type": "Completeness",
          "value": 86.100
        }
      ]
    },
    {
      "resolution_limits": [2.200,1.970],
      "number_observations": 10710,
      "number_observations_unique": 8309,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.111
        },
        {
          "type": "R(meas)",
          "value": 0.157
        },
        {
          "type": "I/SigI",
          "value": 7.630
        },
        {
          "type": "Completeness",
          "value": 87.800
        }
      ]
    },
    {
      "resolution_limits": [2.540,2.200],
      "number_observations": 9513,
      "number_observations_unique": 7472,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.083
        },
        {
          "type": "R(meas)",
          "value": 0.117
        },
        {
          "type": "I/SigI",
          "value": 9.090
        },
        {
          "type": "Completeness",
          "value": 89.100
        }
      ]
    },
    {
      "resolution_limits": [3.110,2.540],
      "number_observations": 8138,
      "number_observations_unique": 6457,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.059
        },
        {
          "type": "R(meas)",
          "value": 0.084
        },
        {
          "type": "I/SigI",
          "value": 10.840
        },
        {
          "type": "Completeness",
          "value": 90.800
        }
      ]
    },
    {
      "resolution_limits": [4.380,3.110],
      "number_observations": 6216,
      "number_observations_unique": 5045,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.045
        },
        {
          "type": "R(meas)",
          "value": 0.063
        },
        {
          "type": "I/SigI",
          "value": 13.340
        },
        {
          "type": "Completeness",
          "value": 92.200
        }
      ]
    },
    {
      "resolution_limits": [50.0,4.380],
      "number_observations": 3379,
      "number_observations_unique": 2830,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.047
        },
        {
          "type": "R(meas)",
          "value": 0.066
        },
        {
          "type": "I/SigI",
          "value": 13.040
        },
        {
          "type": "Completeness",
          "value": 93.100
        }
      ]
    }
  ]

}
  

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


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