Data quality metrics extracted from 8g4v.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": "44bcb6b168768aea5ed02d8db2bdb484",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 44.17,
    "b": 51.59,
    "c": 92.77,
    "alpha": 92.02,
    "beta": 102.89,
    "gamma": 110.04
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [19.96,1.20],
    "number_observations": 1316799,
    "number_observations_unique": 211946,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.060
      },
      {
        "type": "R(meas)",
        "value": 0.065
      },
      {
        "type": "I/SigI",
        "value": 13.3
      },
      {
        "type": "Completeness",
        "value": 91.1
      },
      {
        "type": "Redundancy",
        "value": 6.13
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.24,1.20],
      "number_observations": 60919,
      "number_observations_unique": 17221,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.181
        },
        {
          "type": "R(meas)",
          "value": 0.212
        },
        {
          "type": "I/SigI",
          "value": 4.2
        },
        {
          "type": "Redundancy",
          "value": 3.50
        }
      ]
    },
    {
      "resolution_limits": [1.29,1.24],
      "number_observations": 74932,
      "number_observations_unique": 20861,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.162
        },
        {
          "type": "R(meas)",
          "value": 0.190
        },
        {
          "type": "I/SigI",
          "value": 4.4
        },
        {
          "type": "Redundancy",
          "value": 3.57
        }
      ]
    },
    {
      "resolution_limits": [1.35,1.29],
      "number_observations": 75330,
      "number_observations_unique": 20888,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.148
        },
        {
          "type": "R(meas)",
          "value": 0.172
        },
        {
          "type": "I/SigI",
          "value": 4.9
        },
        {
          "type": "Redundancy",
          "value": 3.59
        }
      ]
    },
    {
      "resolution_limits": [1.42,1.35],
      "number_observations": 83862,
      "number_observations_unique": 21091,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.162
        },
        {
          "type": "R(meas)",
          "value": 0.184
        },
        {
          "type": "I/SigI",
          "value": 4.6
        },
        {
          "type": "Redundancy",
          "value": 3.95
        }
      ]
    },
    {
      "resolution_limits": [1.51,1.42],
      "number_observations": 96194,
      "number_observations_unique": 21186,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.167
        },
        {
          "type": "R(meas)",
          "value": 0.186
        },
        {
          "type": "I/SigI",
          "value": 5.3
        },
        {
          "type": "Redundancy",
          "value": 4.51
        }
      ]
    },
    {
      "resolution_limits": [1.63,1.51],
      "number_observations": 118463,
      "number_observations_unique": 21640,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.142
        },
        {
          "type": "R(meas)",
          "value": 0.156
        },
        {
          "type": "I/SigI",
          "value": 7.2
        },
        {
          "type": "Redundancy",
          "value": 5.43
        }
      ]
    },
    {
      "resolution_limits": [1.79,1.63],
      "number_observations": 166851,
      "number_observations_unique": 22086,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.126
        },
        {
          "type": "R(meas)",
          "value": 0.135
        },
        {
          "type": "I/SigI",
          "value": 9.6
        },
        {
          "type": "Redundancy",
          "value": 7.49
        }
      ]
    },
    {
      "resolution_limits": [2.05,1.79],
      "number_observations": 206428,
      "number_observations_unique": 22386,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.088
        },
        {
          "type": "R(meas)",
          "value": 0.093
        },
        {
          "type": "I/SigI",
          "value": 14.7
        },
        {
          "type": "Redundancy",
          "value": 9.11
        }
      ]
    },
    {
      "resolution_limits": [2.58,2.05],
      "number_observations": 247753,
      "number_observations_unique": 22647,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.074
        },
        {
          "type": "R(meas)",
          "value": 0.077
        },
        {
          "type": "I/SigI",
          "value": 20.2
        },
        {
          "type": "Redundancy",
          "value": 10.69
        }
      ]
    },
    {
      "resolution_limits": [19.96,2.58],
      "number_observations": 186067,
      "number_observations_unique": 21940,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.041
        },
        {
          "type": "R(meas)",
          "value": 0.044
        },
        {
          "type": "I/SigI",
          "value": 28.4
        },
        {
          "type": "Redundancy",
          "value": 8.23
        }
      ]
    }
  ]

}
  

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


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