Data quality metrics extracted from 9rj9.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": "78e645c73077221dea96e482c5e9c061",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 89.66,
    "b": 72.28,
    "c": 102.99,
    "alpha": 90.00,
    "beta": 97.43,
    "gamma": 90.00
  },
  "wavelengths": [0.97950],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [38.96,1.45],
    "number_observations_unique": 230638,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 10.58
      },
      {
        "type": "Completeness",
        "value": 99.9
      },
      {
        "type": "Redundancy",
        "value": 6.67
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.49,1.45],
      "number_observations_unique": 16931,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 100
        },
        {
          "type": "Redundancy",
          "value": 6.54
        },
        {
          "type": "CC(1/2)",
          "value": 0.521
        }
      ]
    },
    {
      "resolution_limits": [1.53,1.49],
      "number_observations_unique": 16596,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 100
        },
        {
          "type": "Redundancy",
          "value": 6.82
        },
        {
          "type": "CC(1/2)",
          "value": 0.665
        }
      ]
    },
    {
      "resolution_limits": [1.57,1.53],
      "number_observations_unique": 16191,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.776
        }
      ]
    },
    {
      "resolution_limits": [1.62,1.57],
      "number_observations_unique": 15604,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.855
        }
      ]
    },
    {
      "resolution_limits": [1.67,1.62],
      "number_observations_unique": 15176,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.898
        }
      ]
    },
    {
      "resolution_limits": [1.73,1.67],
      "number_observations_unique": 14662,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.933
        }
      ]
    },
    {
      "resolution_limits": [1.8,1.73],
      "number_observations_unique": 14203,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.955
        }
      ]
    },
    {
      "resolution_limits": [1.87,1.8],
      "number_observations_unique": 13151,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.977
        }
      ]
    },
    {
      "resolution_limits": [1.96,1.87],
      "number_observations_unique": 13151,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.985
        }
      ]
    },
    {
      "resolution_limits": [2.05,1.96],
      "number_observations_unique": 12468,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.99
        }
      ]
    },
    {
      "resolution_limits": [2.16,2.05],
      "number_observations_unique": 11914,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.993
        }
      ]
    },
    {
      "resolution_limits": [2.29,2.16],
      "number_observations_unique": 11287,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.994
        }
      ]
    },
    {
      "resolution_limits": [2.45,2.29],
      "number_observations_unique": 10625,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    },
    {
      "resolution_limits": [2.65,2.45],
      "number_observations_unique": 9849,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    },
    {
      "resolution_limits": [2.9,2.65],
      "number_observations_unique": 9135,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [3.24,2.9],
      "number_observations_unique": 8217,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [3.74,3.24],
      "number_observations_unique": 7301,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [4.59,3.74],
      "number_observations_unique": 6178,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [6.48,4.59],
      "number_observations_unique": 4811,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [38.96,6.48],
      "number_observations_unique": 2696,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    }
  ]

}
  

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


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