Data quality metrics extracted from 8g39.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": "0638932550d983ded73f3bb919f02a27",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 44.08,
    "b": 50.92,
    "c": 92.74,
    "alpha": 92.10,
    "beta": 102.95,
    "gamma": 109.68
  },
  "wavelengths": [1.54180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [19.90,1.42],
    "number_observations": 288685,
    "number_observations_unique": 121863,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.028
      },
      {
        "type": "R(meas)",
        "value": 0.036
      },
      {
        "type": "I/SigI",
        "value": 16.0
      },
      {
        "type": "Completeness",
        "value": 87.9
      },
      {
        "type": "Redundancy",
        "value": 2.35
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.47,1.42],
      "number_observations": 23268,
      "number_observations_unique": 9899,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.248
        },
        {
          "type": "R(meas)",
          "value": 0.324
        },
        {
          "type": "I/SigI",
          "value": 2.8
        },
        {
          "type": "Redundancy",
          "value": 2.35
        }
      ]
    },
    {
      "resolution_limits": [1.53,1.47],
      "number_observations": 27464,
      "number_observations_unique": 11611,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.210
        },
        {
          "type": "R(meas)",
          "value": 0.273
        },
        {
          "type": "I/SigI",
          "value": 3.2
        },
        {
          "type": "Redundancy",
          "value": 2.36
        }
      ]
    },
    {
      "resolution_limits": [1.60,1.53],
      "number_observations": 27784,
      "number_observations_unique": 11772,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.151
        },
        {
          "type": "R(meas)",
          "value": 0.197
        },
        {
          "type": "I/SigI",
          "value": 4.3
        },
        {
          "type": "Redundancy",
          "value": 2.36
        }
      ]
    },
    {
      "resolution_limits": [1.68,1.60],
      "number_observations": 28208,
      "number_observations_unique": 11961,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.115
        },
        {
          "type": "R(meas)",
          "value": 0.149
        },
        {
          "type": "I/SigI",
          "value": 5.8
        },
        {
          "type": "Redundancy",
          "value": 2.35
        }
      ]
    },
    {
      "resolution_limits": [1.79,1.68],
      "number_observations": 28619,
      "number_observations_unique": 12107,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.082
        },
        {
          "type": "R(meas)",
          "value": 0.106
        },
        {
          "type": "I/SigI",
          "value": 8.4
        },
        {
          "type": "Redundancy",
          "value": 2.36
        }
      ]
    },
    {
      "resolution_limits": [1.93,1.79],
      "number_observations": 29103,
      "number_observations_unique": 12343,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.059
        },
        {
          "type": "R(meas)",
          "value": 0.076
        },
        {
          "type": "I/SigI",
          "value": 12.7
        },
        {
          "type": "Redundancy",
          "value": 2.35
        }
      ]
    },
    {
      "resolution_limits": [2.12,1.93],
      "number_observations": 29674,
      "number_observations_unique": 12663,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.043
        },
        {
          "type": "R(meas)",
          "value": 0.055
        },
        {
          "type": "I/SigI",
          "value": 17.8
        },
        {
          "type": "Redundancy",
          "value": 2.33
        }
      ]
    },
    {
      "resolution_limits": [2.43,2.12],
      "number_observations": 30396,
      "number_observations_unique": 12910,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.034
        },
        {
          "type": "R(meas)",
          "value": 0.044
        },
        {
          "type": "I/SigI",
          "value": 22.6
        },
        {
          "type": "Redundancy",
          "value": 2.34
        }
      ]
    },
    {
      "resolution_limits": [3.06,2.43],
      "number_observations": 31607,
      "number_observations_unique": 13142,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.027
        },
        {
          "type": "R(meas)",
          "value": 0.035
        },
        {
          "type": "I/SigI",
          "value": 29.0
        },
        {
          "type": "Redundancy",
          "value": 2.38
        }
      ]
    },
    {
      "resolution_limits": [19.90,3.06],
      "number_observations": 32562,
      "number_observations_unique": 13455,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.019
        },
        {
          "type": "R(meas)",
          "value": 0.025
        },
        {
          "type": "I/SigI",
          "value": 45.0
        },
        {
          "type": "Redundancy",
          "value": 2.33
        }
      ]
    }
  ]

}
  

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


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