Data quality metrics extracted from 9nj0.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": "fc421b4512652cc7890fc32970647499",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 106.784,
    "b": 204.965,
    "c": 294.126,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.92000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [34.61,3.20],
    "number_observations_unique": 101657,
    "quality_factors": [
      {
        "type": "R(pim)",
        "value": 0.135
      },
      {
        "type": "I/SigI",
        "value": 5.5
      },
      {
        "type": "Completeness",
        "value": 94.9
      },
      {
        "type": "Redundancy",
        "value": 5.2
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.31,3.20],
      "number_observations_unique": 10021,
      "quality_factors": [
        {
          "type": "R(pim)",
          "value": 0.435
        },
        {
          "type": "I/SigI",
          "value": 1.6
        },
        {
          "type": "Completeness",
          "value": 94.73
        },
        {
          "type": "Redundancy",
          "value": 5.27
        },
        {
          "type": "CC(1/2)",
          "value": 0.89
        }
      ]
    },
    {
      "resolution_limits": [3.45,3.31],
      "number_observations_unique": 10234,
      "quality_factors": [
        {
          "type": "R(pim)",
          "value": 0.375
        },
        {
          "type": "I/SigI",
          "value": 2.5
        },
        {
          "type": "Completeness",
          "value": 96.33
        },
        {
          "type": "Redundancy",
          "value": 5.28
        },
        {
          "type": "CC(1/2)",
          "value": 0.78
        }
      ]
    },
    {
      "resolution_limits": [3.60,3.45],
      "number_observations_unique": 10135,
      "quality_factors": [
        {
          "type": "R(pim)",
          "value": 0.293
        },
        {
          "type": "I/SigI",
          "value": 3.0
        },
        {
          "type": "Completeness",
          "value": 95.83
        },
        {
          "type": "Redundancy",
          "value": 5.1
        },
        {
          "type": "CC(1/2)",
          "value": 0.61
        }
      ]
    },
    {
      "resolution_limits": [3.79,3.60],
      "number_observations_unique": 10184,
      "quality_factors": [
        {
          "type": "R(pim)",
          "value": 0.24
        },
        {
          "type": "I/SigI",
          "value": 3.9
        },
        {
          "type": "Completeness",
          "value": 95.8
        },
        {
          "type": "Redundancy",
          "value": 4.74
        },
        {
          "type": "CC(1/2)",
          "value": 0.498
        }
      ]
    },
    {
      "resolution_limits": [4.03,3.79],
      "number_observations_unique": 10112,
      "quality_factors": [
        {
          "type": "R(pim)",
          "value": 0.190
        },
        {
          "type": "I/SigI",
          "value": 5.3
        },
        {
          "type": "Completeness",
          "value": 95.2
        },
        {
          "type": "Redundancy",
          "value": 5.34
        },
        {
          "type": "CC(1/2)",
          "value": 0.385
        }
      ]
    },
    {
      "resolution_limits": [4.34,4.03],
      "number_observations_unique": 10119,
      "quality_factors": [
        {
          "type": "R(pim)",
          "value": 0.134
        },
        {
          "type": "I/SigI",
          "value": 7.1
        },
        {
          "type": "Completeness",
          "value": 94.91
        },
        {
          "type": "Redundancy",
          "value": 5.29
        },
        {
          "type": "CC(1/2)",
          "value": 0.281
        }
      ]
    },
    {
      "resolution_limits": [4.78,4.34],
      "number_observations_unique": 10169,
      "quality_factors": [
        {
          "type": "R(pim)",
          "value": 0.094
        },
        {
          "type": "I/SigI",
          "value": 7.2
        },
        {
          "type": "Completeness",
          "value": 94.98
        },
        {
          "type": "Redundancy",
          "value": 5.03
        },
        {
          "type": "CC(1/2)",
          "value": 0.197
        }
      ]
    },
    {
      "resolution_limits": [5.46,4.78],
      "number_observations_unique": 10168,
      "quality_factors": [
        {
          "type": "R(pim)",
          "value": 0.092
        },
        {
          "type": "I/SigI",
          "value": 7.6
        },
        {
          "type": "Completeness",
          "value": 94.63
        },
        {
          "type": "Redundancy",
          "value": 5.70
        },
        {
          "type": "CC(1/2)",
          "value": 0.189
        }
      ]
    },
    {
      "resolution_limits": [6.88,5.46],
      "number_observations_unique": 10209,
      "quality_factors": [
        {
          "type": "R(pim)",
          "value": 0.085
        },
        {
          "type": "I/SigI",
          "value": 14.6
        },
        {
          "type": "Completeness",
          "value": 94.14
        },
        {
          "type": "Redundancy",
          "value": 5.47
        },
        {
          "type": "CC(1/2)",
          "value": 0.177
        }
      ]
    },
    {
      "resolution_limits": [34.61,6.88],
      "number_observations_unique": 10321,
      "quality_factors": [
        {
          "type": "R(pim)",
          "value": 0.038
        },
        {
          "type": "Completeness",
          "value": 92.27
        },
        {
          "type": "CC(1/2)",
          "value": 0.079
        }
      ]
    }
  ]

}
  

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


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