Data quality metrics extracted from 12oa.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": "7f525dd440f60077bdebf55c9791853d",
  "space_group_name": "P 21 21 2",
  "unit_cell": {
    "a": 70.468,
    "b": 210.750,
    "c": 63.733,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97720],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [46.12,1.77],
    "number_observations_unique": 179637,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.139
      },
      {
        "type": "R(meas)",
        "value": 0.182
      },
      {
        "type": "I/SigI",
        "value": 3.84
      },
      {
        "type": "Completeness",
        "value": 47.2
      },
      {
        "type": "Redundancy",
        "value": 6.777
      },
      {
        "type": "CC(1/2)",
        "value": 0.993
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.87,1.77],
      "number_observations_unique": 13809,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 3.085
        },
        {
          "type": "R(meas)",
          "value": 4.119
        },
        {
          "type": "CC(1/2)",
          "value": 0.085
        }
      ]
    },
    {
      "resolution_limits": [2.0,1.87],
      "number_observations_unique": 12927,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.657
        },
        {
          "type": "R(meas)",
          "value": 2.199
        },
        {
          "type": "CC(1/2)",
          "value": 0.254
        }
      ]
    },
    {
      "resolution_limits": [2.16,2.00],
      "number_observations_unique": 12575,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.887
        },
        {
          "type": "R(meas)",
          "value": 1.158
        },
        {
          "type": "CC(1/2)",
          "value": 0.56
        }
      ]
    },
    {
      "resolution_limits": [2.37,2.16],
      "number_observations_unique": 11503,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.584
        },
        {
          "type": "R(meas)",
          "value": 0.753
        },
        {
          "type": "CC(1/2)",
          "value": 0.753
        }
      ]
    },
    {
      "resolution_limits": [2.65,2.37],
      "number_observations_unique": 9987,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.368
        },
        {
          "type": "R(meas)",
          "value": 0.475
        },
        {
          "type": "CC(1/2)",
          "value": 0.857
        }
      ]
    },
    {
      "resolution_limits": [3.05,2.65],
      "number_observations_unique": 8594,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.178
        },
        {
          "type": "R(meas)",
          "value": 0.232
        },
        {
          "type": "CC(1/2)",
          "value": 0.957
        }
      ]
    },
    {
      "resolution_limits": [3.74,3.05],
      "number_observations_unique": 7244,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.085
        },
        {
          "type": "R(meas)",
          "value": 0.11
        },
        {
          "type": "CC(1/2)",
          "value": 0.989
        }
      ]
    },
    {
      "resolution_limits": [5.27,3.74],
      "number_observations_unique": 5098,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.048
        },
        {
          "type": "R(meas)",
          "value": 0.065
        },
        {
          "type": "CC(1/2)",
          "value": 0.992
        }
      ]
    },
    {
      "resolution_limits": [46.12,5.27],
      "number_observations_unique": 3147,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.028
        },
        {
          "type": "R(meas)",
          "value": 0.036
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    }
  ]

}
  

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


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