Data quality metrics extracted from 4h6c.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": "31810a80cdd0bd183a63a7a187a8aea9",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 67.321,
    "b": 67.430,
    "c": 161.775,
    "alpha": 84.61,
    "beta": 79.32,
    "gamma": 61.99
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [19.80,1.350],
    "number_observations_unique": 446841,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.023
      },
      {
        "type": "I/SigI",
        "value": 15.980
      },
      {
        "type": "Completeness",
        "value": 82.400
      },
      {
        "type": "Redundancy",
        "value": 1.7
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.450,1.350],
      "number_observations": 132679,
      "number_observations_unique": 82875,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.417
        },
        {
          "type": "I/SigI",
          "value": 2.200
        },
        {
          "type": "Completeness",
          "value": 79.300
        }
      ]
    },
    {
      "resolution_limits": [1.550,1.450],
      "number_observations": 113278,
      "number_observations_unique": 69168,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.232
        },
        {
          "type": "I/SigI",
          "value": 3.890
        },
        {
          "type": "Completeness",
          "value": 87.100
        }
      ]
    },
    {
      "resolution_limits": [1.750,1.550],
      "number_observations": 158543,
      "number_observations_unique": 94951,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.102
        },
        {
          "type": "I/SigI",
          "value": 8.040
        },
        {
          "type": "Completeness",
          "value": 86.800
        }
      ]
    },
    {
      "resolution_limits": [2.830,1.750],
      "number_observations": 273328,
      "number_observations_unique": 157519,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.024
        },
        {
          "type": "I/SigI",
          "value": 24.820
        },
        {
          "type": "Completeness",
          "value": 82.800
        }
      ]
    },
    {
      "resolution_limits": [3.370,2.830],
      "number_observations": 33748,
      "number_observations_unique": 18492,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.016
        },
        {
          "type": "I/SigI",
          "value": 41.740
        },
        {
          "type": "Completeness",
          "value": 77.100
        }
      ]
    },
    {
      "resolution_limits": [3.910,3.370],
      "number_observations": 17111,
      "number_observations_unique": 9249,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.015
        },
        {
          "type": "I/SigI",
          "value": 48.440
        },
        {
          "type": "Completeness",
          "value": 73.900
        }
      ]
    },
    {
      "resolution_limits": [4.450,3.910],
      "number_observations": 9365,
      "number_observations_unique": 5044,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.013
        },
        {
          "type": "I/SigI",
          "value": 50.620
        },
        {
          "type": "Completeness",
          "value": 69.800
        }
      ]
    },
    {
      "resolution_limits": [14.000,4.450],
      "number_observations": 18078,
      "number_observations_unique": 9460,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.012
        },
        {
          "type": "I/SigI",
          "value": 56.870
        },
        {
          "type": "Completeness",
          "value": 64.600
        }
      ]
    },
    {
      "resolution_limits": [17.000,14.000],
      "number_observations": 122,
      "number_observations_unique": 63,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.010
        },
        {
          "type": "I/SigI",
          "value": 60.940
        },
        {
          "type": "Completeness",
          "value": 28.100
        }
      ]
    },
    {
      "resolution_limits": [20.000,17.000],
      "number_observations": 38,
      "number_observations_unique": 20,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.015
        },
        {
          "type": "I/SigI",
          "value": 59.940
        },
        {
          "type": "Completeness",
          "value": 21.100
        }
      ]
    },
    {
      "resolution_limits": [19.80,20.000],
      "quality_factors": [

      ]
    }
  ]

}
  

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


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