Data quality metrics extracted from 8g2l.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": "ee7f2800150a2de564e341defea56a97",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 44.02,
    "b": 51.08,
    "c": 92.61,
    "alpha": 92.08,
    "beta": 103.00,
    "gamma": 109.44
  },
  "wavelengths": [1.54180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [19.87,1.42],
    "number_observations": 751297,
    "number_observations_unique": 121088,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.058
      },
      {
        "type": "R(meas)",
        "value": 0.063
      },
      {
        "type": "I/SigI",
        "value": 17.2
      },
      {
        "type": "Completeness",
        "value": 87.2
      },
      {
        "type": "Redundancy",
        "value": 6.16
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.47,1.42],
      "number_observations": 33975,
      "number_observations_unique": 7103,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.373
        },
        {
          "type": "R(meas)",
          "value": 0.417
        },
        {
          "type": "I/SigI",
          "value": 2.8
        },
        {
          "type": "Redundancy",
          "value": 4.78
        }
      ]
    },
    {
      "resolution_limits": [1.53,1.47],
      "number_observations": 67126,
      "number_observations_unique": 11305,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.392
        },
        {
          "type": "R(meas)",
          "value": 0.428
        },
        {
          "type": "I/SigI",
          "value": 3.2
        },
        {
          "type": "Redundancy",
          "value": 5.93
        }
      ]
    },
    {
      "resolution_limits": [1.60,1.53],
      "number_observations": 82062,
      "number_observations_unique": 12617,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.348
        },
        {
          "type": "R(meas)",
          "value": 0.376
        },
        {
          "type": "I/SigI",
          "value": 3.9
        },
        {
          "type": "Redundancy",
          "value": 6.50
        }
      ]
    },
    {
      "resolution_limits": [1.68,1.60],
      "number_observations": 81567,
      "number_observations_unique": 12663,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.271
        },
        {
          "type": "R(meas)",
          "value": 0.294
        },
        {
          "type": "I/SigI",
          "value": 5.0
        },
        {
          "type": "Redundancy",
          "value": 6.43
        }
      ]
    },
    {
      "resolution_limits": [1.79,1.68],
      "number_observations": 79366,
      "number_observations_unique": 12525,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.201
        },
        {
          "type": "R(meas)",
          "value": 0.217
        },
        {
          "type": "I/SigI",
          "value": 6.7
        },
        {
          "type": "Redundancy",
          "value": 6.32
        }
      ]
    },
    {
      "resolution_limits": [1.93,1.79],
      "number_observations": 77951,
      "number_observations_unique": 12431,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.161
        },
        {
          "type": "R(meas)",
          "value": 0.174
        },
        {
          "type": "I/SigI",
          "value": 9.2
        },
        {
          "type": "Redundancy",
          "value": 6.25
        }
      ]
    },
    {
      "resolution_limits": [2.12,1.93],
      "number_observations": 75923,
      "number_observations_unique": 12360,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.100
        },
        {
          "type": "R(meas)",
          "value": 0.109
        },
        {
          "type": "I/SigI",
          "value": 14.6
        },
        {
          "type": "Redundancy",
          "value": 6.12
        }
      ]
    },
    {
      "resolution_limits": [2.43,2.12],
      "number_observations": 74995,
      "number_observations_unique": 12756,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.065
        },
        {
          "type": "R(meas)",
          "value": 0.071
        },
        {
          "type": "I/SigI",
          "value": 20.7
        },
        {
          "type": "Redundancy",
          "value": 5.87
        }
      ]
    },
    {
      "resolution_limits": [3.06,2.43],
      "number_observations": 81985,
      "number_observations_unique": 13520,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.049
        },
        {
          "type": "R(meas)",
          "value": 0.054
        },
        {
          "type": "I/SigI",
          "value": 31.8
        },
        {
          "type": "Redundancy",
          "value": 6.04
        }
      ]
    },
    {
      "resolution_limits": [19.87,3.06],
      "number_observations": 96347,
      "number_observations_unique": 13808,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.039
        },
        {
          "type": "R(meas)",
          "value": 0.042
        },
        {
          "type": "I/SigI",
          "value": 57.1
        },
        {
          "type": "Redundancy",
          "value": 6.68
        }
      ]
    }
  ]

}
  

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


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