Data quality metrics extracted from 8g2s.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": "07b7b0cd112d7083c8fcae5cbe069069",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 44.24,
    "b": 51.25,
    "c": 92.46,
    "alpha": 92.01,
    "beta": 102.87,
    "gamma": 109.91
  },
  "wavelengths": [1.54180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [19.98,1.45],
    "number_observations": 437190,
    "number_observations_unique": 114498,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.033
      },
      {
        "type": "R(meas)",
        "value": 0.039
      },
      {
        "type": "I/SigI",
        "value": 23.8
      },
      {
        "type": "Completeness",
        "value": 87.4
      },
      {
        "type": "Redundancy",
        "value": 3.79
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.50,1.45],
      "number_observations": 24944,
      "number_observations_unique": 6811,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.210
        },
        {
          "type": "R(meas)",
          "value": 0.248
        },
        {
          "type": "I/SigI",
          "value": 4.3
        },
        {
          "type": "Redundancy",
          "value": 3.55
        }
      ]
    },
    {
      "resolution_limits": [1.56,1.50],
      "number_observations": 42222,
      "number_observations_unique": 11178,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.111
        },
        {
          "type": "R(meas)",
          "value": 0.130
        },
        {
          "type": "I/SigI",
          "value": 7.1
        },
        {
          "type": "Redundancy",
          "value": 3.74
        }
      ]
    },
    {
      "resolution_limits": [1.63,1.56],
      "number_observations": 43734,
      "number_observations_unique": 11427,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.078
        },
        {
          "type": "R(meas)",
          "value": 0.091
        },
        {
          "type": "I/SigI",
          "value": 10.1
        },
        {
          "type": "Redundancy",
          "value": 3.82
        }
      ]
    },
    {
      "resolution_limits": [1.72,1.63],
      "number_observations": 44389,
      "number_observations_unique": 11572,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.064
        },
        {
          "type": "R(meas)",
          "value": 0.074
        },
        {
          "type": "I/SigI",
          "value": 13.2
        },
        {
          "type": "Redundancy",
          "value": 3.82
        }
      ]
    },
    {
      "resolution_limits": [1.83,1.72],
      "number_observations": 45258,
      "number_observations_unique": 11797,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.055
        },
        {
          "type": "R(meas)",
          "value": 0.064
        },
        {
          "type": "I/SigI",
          "value": 16.3
        },
        {
          "type": "Redundancy",
          "value": 3.82
        }
      ]
    },
    {
      "resolution_limits": [1.97,1.83],
      "number_observations": 45592,
      "number_observations_unique": 11899,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.048
        },
        {
          "type": "R(meas)",
          "value": 0.056
        },
        {
          "type": "I/SigI",
          "value": 19.9
        },
        {
          "type": "Redundancy",
          "value": 3.82
        }
      ]
    },
    {
      "resolution_limits": [2.17,1.97],
      "number_observations": 46408,
      "number_observations_unique": 12112,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.042
        },
        {
          "type": "R(meas)",
          "value": 0.049
        },
        {
          "type": "I/SigI",
          "value": 23.4
        },
        {
          "type": "Redundancy",
          "value": 3.83
        }
      ]
    },
    {
      "resolution_limits": [2.48,2.17],
      "number_observations": 47382,
      "number_observations_unique": 12363,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.039
        },
        {
          "type": "R(meas)",
          "value": 0.045
        },
        {
          "type": "I/SigI",
          "value": 27.3
        },
        {
          "type": "Redundancy",
          "value": 3.83
        }
      ]
    },
    {
      "resolution_limits": [3.12,2.48],
      "number_observations": 48101,
      "number_observations_unique": 12555,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.033
        },
        {
          "type": "R(meas)",
          "value": 0.039
        },
        {
          "type": "I/SigI",
          "value": 34.9
        },
        {
          "type": "Redundancy",
          "value": 3.82
        }
      ]
    },
    {
      "resolution_limits": [19.98,3.12],
      "number_observations": 49160,
      "number_observations_unique": 12784,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.024
        },
        {
          "type": "R(meas)",
          "value": 0.029
        },
        {
          "type": "I/SigI",
          "value": 66.9
        },
        {
          "type": "Redundancy",
          "value": 3.74
        }
      ]
    }
  ]

}
  

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


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