Data quality metrics extracted from 4zas.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": "f9c55406308dd453cab9712967a39f93",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 71.57,
    "b": 88.74,
    "c": 189.81,
    "alpha": 90.00,
    "beta": 96.22,
    "gamma": 90.00
  },
  "wavelengths": [0.98000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,2.47],
    "number_observations": 1022296,
    "number_observations_unique": 84933,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.117
      },
      {
        "type": "R(meas)",
        "value": 0.269
      },
      {
        "type": "I/SigI",
        "value": 11.61
      },
      {
        "type": "Completeness",
        "value": 100.00
      },
      {
        "type": "Redundancy",
        "value": 8.8
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.50,2.47],
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      "number_observations_unique": 9660,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.57
        },
        {
          "type": "R(meas)",
          "value": 4.834
        },
        {
          "type": "I/SigI",
          "value": 0.150
        },
        {
          "type": "Completeness",
          "value": 40.900
        }
      ]
    },
    {
      "resolution_limits": [2.100,2.040],
      "number_observations": 18789,
      "number_observations_unique": 13209,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.336
        },
        {
          "type": "R(meas)",
          "value": 3.168
        },
        {
          "type": "I/SigI",
          "value": 0.240
        },
        {
          "type": "Completeness",
          "value": 57.400
        }
      ]
    },
    {
      "resolution_limits": [2.160,2.100],
      "number_observations": 26519,
      "number_observations_unique": 15226,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 6.892
        },
        {
          "type": "R(meas)",
          "value": 8.632
        },
        {
          "type": "I/SigI",
          "value": 0.320
        },
        {
          "type": "Completeness",
          "value": 67.800
        }
      ]
    },
    {
      "resolution_limits": [2.220,2.160],
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      "number_observations_unique": 16839,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 7.146
        },
        {
          "type": "R(meas)",
          "value": 8.615
        },
        {
          "type": "I/SigI",
          "value": 0.390
        },
        {
          "type": "Completeness",
          "value": 77.800
        }
      ]
    },
    {
      "resolution_limits": [2.300,2.220],
      "number_observations": 47603,
      "number_observations_unique": 18735,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 3.949
        },
        {
          "type": "R(meas)",
          "value": 4.708
        },
        {
          "type": "I/SigI",
          "value": 0.510
        },
        {
          "type": "Completeness",
          "value": 88.900
        }
      ]
    },
    {
      "resolution_limits": [2.380,2.300],
      "number_observations": 61737,
      "number_observations_unique": 20032,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.629
        },
        {
          "type": "R(meas)",
          "value": 3.097
        },
        {
          "type": "I/SigI",
          "value": 0.770
        },
        {
          "type": "Completeness",
          "value": 97.900
        }
      ]
    },
    {
      "resolution_limits": [2.470,2.380],
      "number_observations": 70088,
      "number_observations_unique": 19623,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.292
        },
        {
          "type": "R(meas)",
          "value": 2.668
        },
        {
          "type": "I/SigI",
          "value": 1.000
        },
        {
          "type": "Completeness",
          "value": 99.800
        }
      ]
    },
    {
      "resolution_limits": [2.570,2.470],
      "number_observations": 76940,
      "number_observations_unique": 18771,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.883
        },
        {
          "type": "R(meas)",
          "value": 2.159
        },
        {
          "type": "I/SigI",
          "value": 1.360
        },
        {
          "type": "Completeness",
          "value": 99.900
        }
      ]
    },
    {
      "resolution_limits": [2.680,2.570],
      "number_observations": 78007,
      "number_observations_unique": 18186,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.384
        },
        {
          "type": "R(meas)",
          "value": 1.579
        },
        {
          "type": "I/SigI",
          "value": 1.840
        },
        {
          "type": "Completeness",
          "value": 99.900
        }
      ]
    },
    {
      "resolution_limits": [2.810,2.680],
      "number_observations": 75666,
      "number_observations_unique": 17303,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.981
        },
        {
          "type": "R(meas)",
          "value": 1.116
        },
        {
          "type": "I/SigI",
          "value": 2.500
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [2.970,2.810],
      "number_observations": 73641,
      "number_observations_unique": 16515,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.711
        },
        {
          "type": "R(meas)",
          "value": 0.807
        },
        {
          "type": "I/SigI",
          "value": 3.440
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [3.140,2.970],
      "number_observations": 70814,
      "number_observations_unique": 15594,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.482
        },
        {
          "type": "R(meas)",
          "value": 0.546
        },
        {
          "type": "I/SigI",
          "value": 4.850
        },
        {
          "type": "Completeness",
          "value": 99.900
        }
      ]
    },
    {
      "resolution_limits": [3.360,3.140],
      "number_observations": 67265,
      "number_observations_unique": 14623,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.322
        },
        {
          "type": "R(meas)",
          "value": 0.364
        },
        {
          "type": "I/SigI",
          "value": 7.020
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [3.630,3.360],
      "number_observations": 62822,
      "number_observations_unique": 13614,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.223
        },
        {
          "type": "R(meas)",
          "value": 0.252
        },
        {
          "type": "I/SigI",
          "value": 9.420
        },
        {
          "type": "Completeness",
          "value": 99.900
        }
      ]
    },
    {
      "resolution_limits": [3.980,3.630],
      "number_observations": 58133,
      "number_observations_unique": 12606,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.150
        },
        {
          "type": "R(meas)",
          "value": 0.170
        },
        {
          "type": "I/SigI",
          "value": 12.640
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [4.450,3.980],
      "number_observations": 52235,
      "number_observations_unique": 11322,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.104
        },
        {
          "type": "R(meas)",
          "value": 0.117
        },
        {
          "type": "I/SigI",
          "value": 16.270
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [5.140,4.450],
      "number_observations": 46187,
      "number_observations_unique": 9987,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.088
        },
        {
          "type": "R(meas)",
          "value": 0.100
        },
        {
          "type": "I/SigI",
          "value": 18.100
        },
        {
          "type": "Completeness",
          "value": 99.900
        }
      ]
    },
    {
      "resolution_limits": [6.290,5.140],
      "number_observations": 39074,
      "number_observations_unique": 8448,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.096
        },
        {
          "type": "R(meas)",
          "value": 0.108
        },
        {
          "type": "I/SigI",
          "value": 17.030
        },
        {
          "type": "Completeness",
          "value": 99.900
        }
      ]
    },
    {
      "resolution_limits": [8.900,6.290],
      "number_observations": 30054,
      "number_observations_unique": 6517,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.063
        },
        {
          "type": "R(meas)",
          "value": 0.072
        },
        {
          "type": "I/SigI",
          "value": 21.750
        },
        {
          "type": "Completeness",
          "value": 99.800
        }
      ]
    },
    {
      "resolution_limits": [50,8.900],
      "number_observations": 15616,
      "number_observations_unique": 3469,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.041
        },
        {
          "type": "R(meas)",
          "value": 0.046
        },
        {
          "type": "I/SigI",
          "value": 29.310
        },
        {
          "type": "Completeness",
          "value": 97.300
        }
      ]
    }
  ]

}
  

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


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