Data quality metrics extracted from 4pmz.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": "b0ee683607417f270aa8edfcab0208bf",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 72.056,
    "b": 49.238,
    "c": 83.035,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.45000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [42.4,1.400],
    "number_observations": 438738,
    "number_observations_unique": 206127,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.054
      },
      {
        "type": "R(meas)",
        "value": 0.072
      },
      {
        "type": "I/SigI",
        "value": 10.860
      },
      {
        "type": "Completeness",
        "value": 91.900
      },
      {
        "type": "Redundancy",
        "value": 2.18
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.490,1.400],
      "number_observations": 68542,
      "number_observations_unique": 33147,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.540
        },
        {
          "type": "R(meas)",
          "value": 0.730
        },
        {
          "type": "I/SigI",
          "value": 1.660
        },
        {
          "type": "Completeness",
          "value": 91.400
        }
      ]
    },
    {
      "resolution_limits": [1.590,1.490],
      "number_observations": 68867,
      "number_observations_unique": 32066,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.370
        },
        {
          "type": "R(meas)",
          "value": 0.500
        },
        {
          "type": "I/SigI",
          "value": 2.470
        },
        {
          "type": "Completeness",
          "value": 93.800
        }
      ]
    },
    {
      "resolution_limits": [1.720,1.590],
      "number_observations": 64681,
      "number_observations_unique": 29975,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.246
        },
        {
          "type": "R(meas)",
          "value": 0.332
        },
        {
          "type": "I/SigI",
          "value": 3.720
        },
        {
          "type": "Completeness",
          "value": 94.500
        }
      ]
    },
    {
      "resolution_limits": [1.880,1.720],
      "number_observations": 58105,
      "number_observations_unique": 27092,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.155
        },
        {
          "type": "R(meas)",
          "value": 0.210
        },
        {
          "type": "I/SigI",
          "value": 5.950
        },
        {
          "type": "Completeness",
          "value": 93.100
        }
      ]
    },
    {
      "resolution_limits": [2.100,1.880],
      "number_observations": 50329,
      "number_observations_unique": 23704,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.085
        },
        {
          "type": "R(meas)",
          "value": 0.115
        },
        {
          "type": "I/SigI",
          "value": 10.360
        },
        {
          "type": "Completeness",
          "value": 89.600
        }
      ]
    },
    {
      "resolution_limits": [2.420,2.100],
      "number_observations": 42673,
      "number_observations_unique": 20314,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.053
        },
        {
          "type": "R(meas)",
          "value": 0.072
        },
        {
          "type": "I/SigI",
          "value": 16.040
        },
        {
          "type": "Completeness",
          "value": 87.000
        }
      ]
    },
    {
      "resolution_limits": [2.970,2.420],
      "number_observations": 35988,
      "number_observations_unique": 17167,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.036
        },
        {
          "type": "R(meas)",
          "value": 0.048
        },
        {
          "type": "I/SigI",
          "value": 22.200
        },
        {
          "type": "Completeness",
          "value": 87.300
        }
      ]
    },
    {
      "resolution_limits": [4.180,2.970],
      "number_observations": 31361,
      "number_observations_unique": 14406,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.020
        },
        {
          "type": "R(meas)",
          "value": 0.026
        },
        {
          "type": "I/SigI",
          "value": 36.570
        },
        {
          "type": "Completeness",
          "value": 94.400
        }
      ]
    },
    {
      "resolution_limits": [42.4,4.180],
      "number_observations": 18192,
      "number_observations_unique": 8256,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.016
        },
        {
          "type": "R(meas)",
          "value": 0.022
        },
        {
          "type": "I/SigI",
          "value": 42.650
        },
        {
          "type": "Completeness",
          "value": 98.100
        }
      ]
    }
  ]

}
  

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


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