Data quality metrics extracted from 9n9v.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.3",
  "uuid": "f1f234b5515852884b6e834839459a47",
  "space_group_name": "C 2 2 21",
  "unit_cell": {
    "a": 88.131,
    "b": 93.591,
    "c": 204.361,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97900],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [46.8,2.5],
    "number_observations_unique": 29592,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.2755
      },
      {
        "type": "R(meas)",
        "value": 0.2867
      },
      {
        "type": "I/SigI",
        "value": 2.35
      },
      {
        "type": "Completeness",
        "value": 99.64
      },
      {
        "type": "Redundancy",
        "value": 13.2
      },
      {
        "type": "CC(1/2)",
        "value": 0.96
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.589,2.5],
      "number_observations_unique": 3369,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.159
        },
        {
          "type": "R(meas)",
          "value": 2.241
        },
        {
          "type": "CC(1/2)",
          "value": 0.028
        }
      ]
    },
    {
      "resolution_limits": [2.6,2.589],
      "number_observations_unique": 3171,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 4.951
        },
        {
          "type": "R(meas)",
          "value": 5.864
        },
        {
          "type": "CC(1/2)",
          "value": 0.048
        }
      ]
    },
    {
      "resolution_limits": [2.81,2.60],
      "number_observations_unique": 2896,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 3.007
        },
        {
          "type": "R(meas)",
          "value": 3.564
        },
        {
          "type": "CC(1/2)",
          "value": 0.093
        }
      ]
    },
    {
      "resolution_limits": [3.08,2.81],
      "number_observations_unique": 2606,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.856
        },
        {
          "type": "R(meas)",
          "value": 2.208
        },
        {
          "type": "CC(1/2)",
          "value": 0.229
        }
      ]
    },
    {
      "resolution_limits": [3.44,3.08],
      "number_observations_unique": 2343,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.999
        },
        {
          "type": "R(meas)",
          "value": 1.161
        },
        {
          "type": "CC(1/2)",
          "value": 0.655
        }
      ]
    },
    {
      "resolution_limits": [3.97,3.44],
      "number_observations_unique": 2027,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.592
        },
        {
          "type": "R(meas)",
          "value": 0.683
        },
        {
          "type": "CC(1/2)",
          "value": 0.813
        }
      ]
    },
    {
      "resolution_limits": [4.85,3.97],
      "number_observations_unique": 1647,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.297
        },
        {
          "type": "R(meas)",
          "value": 0.344
        },
        {
          "type": "CC(1/2)",
          "value": 0.933
        }
      ]
    },
    {
      "resolution_limits": [6.83,4.85],
      "number_observations_unique": 1226,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.188
        },
        {
          "type": "R(meas)",
          "value": 0.221
        },
        {
          "type": "CC(1/2)",
          "value": 0.964
        }
      ]
    },
    {
      "resolution_limits": [46.8,6.83],
      "number_observations_unique": 663,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.084
        },
        {
          "type": "R(meas)",
          "value": 0.098
        },
        {
          "type": "CC(1/2)",
          "value": 0.99
        }
      ]
    }
  ]

}
  

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


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