Data quality metrics extracted from 5njd.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": "4ede321dbf4e926951e12c96c6e4d0c4",
  "space_group_name": "P 41 21 2",
  "unit_cell": {
    "a": 191.606,
    "b": 191.606,
    "c": 519.109,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97625],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [95.80,3.9],
    "number_observations_unique": 86556,
    "quality_factors": [
      {
        "type": "R(meas)",
        "value": 0.438
      },
      {
        "type": "I/SigI",
        "value": 4.2
      },
      {
        "type": "Completeness",
        "value": 97.7
      },
      {
        "type": "Redundancy",
        "value": 5.1
      },
      {
        "type": "CC(1/2)",
        "value": 0.96
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [94.81,11.64],
      "number_observations_unique": 3549,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.085
        },
        {
          "type": "I/SigI",
          "value": 16.02
        },
        {
          "type": "Completeness",
          "value": 95.9
        },
        {
          "type": "Redundancy",
          "value": 4.61
        },
        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    },
    {
      "resolution_limits": [11.64,8.26],
      "number_observations_unique": 6069,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.108
        },
        {
          "type": "I/SigI",
          "value": 13.72
        },
        {
          "type": "Completeness",
          "value": 97.8
        },
        {
          "type": "Redundancy",
          "value": 4.91
        },
        {
          "type": "CC(1/2)",
          "value": 0.993
        }
      ]
    },
    {
      "resolution_limits": [8.26,6.75],
      "number_observations_unique": 7748,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.255
        },
        {
          "type": "I/SigI",
          "value": 6.46
        },
        {
          "type": "Completeness",
          "value": 98.1
        },
        {
          "type": "Redundancy",
          "value": 5.12
        },
        {
          "type": "CC(1/2)",
          "value": 0.966
        }
      ]
    },
    {
      "resolution_limits": [6.75,5.85],
      "number_observations_unique": 9114,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.470
        },
        {
          "type": "I/SigI",
          "value": 3.61
        },
        {
          "type": "Completeness",
          "value": 98.7
        },
        {
          "type": "Redundancy",
          "value": 4.99
        },
        {
          "type": "CC(1/2)",
          "value": 0.866
        }
      ]
    },
    {
      "resolution_limits": [5.85,5.24],
      "number_observations_unique": 10258,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.531
        },
        {
          "type": "I/SigI",
          "value": 3.22
        },
        {
          "type": "Completeness",
          "value": 98.8
        },
        {
          "type": "Redundancy",
          "value": 5.09
        },
        {
          "type": "CC(1/2)",
          "value": 0.830
        }
      ]
    },
    {
      "resolution_limits": [5.24,4.78],
      "number_observations_unique": 11323,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.561
        },
        {
          "type": "I/SigI",
          "value": 3.12
        },
        {
          "type": "Completeness",
          "value": 99.1
        },
        {
          "type": "Redundancy",
          "value": 5.10
        },
        {
          "type": "CC(1/2)",
          "value": 0.805
        }
      ]
    },
    {
      "resolution_limits": [4.78,4.43],
      "number_observations_unique": 12290,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.669
        },
        {
          "type": "I/SigI",
          "value": 2.64
        },
        {
          "type": "Completeness",
          "value": 99.2
        },
        {
          "type": "Redundancy",
          "value": 5.19
        },
        {
          "type": "CC(1/2)",
          "value": 0.749
        }
      ]
    },
    {
      "resolution_limits": [4.43,4.14],
      "number_observations_unique": 13191,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.916
        },
        {
          "type": "I/SigI",
          "value": 1.87
        },
        {
          "type": "Completeness",
          "value": 99.3
        },
        {
          "type": "Redundancy",
          "value": 5.17
        },
        {
          "type": "CC(1/2)",
          "value": 0.599
        }
      ]
    },
    {
      "resolution_limits": [4.14,3.90],
      "number_observations_unique": 13014,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 1.378
        },
        {
          "type": "I/SigI",
          "value": 1.18
        },
        {
          "type": "Completeness",
          "value": 92.5
        },
        {
          "type": "Redundancy",
          "value": 5.12
        },
        {
          "type": "CC(1/2)",
          "value": 0.430
        }
      ]
    }
  ]

}
  

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


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