Data quality metrics extracted from 4jbu.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": "c3e336e50db61ea47860b01763c200df",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 39.553,
    "b": 51.442,
    "c": 65.178,
    "alpha": 90.0,
    "beta": 92.0,
    "gamma": 90.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [51.44,1.65],
    "number_observations_unique": 31392,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.034
      },
      {
        "type": "I/SigI",
        "value": 17.9825
      },
      {
        "type": "Completeness",
        "value": 99.32
      },
      {
        "type": "Redundancy",
        "value": 3.29
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.74,1.65],
      "number_observations": 14857,
      "number_observations_unique": 4546,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.50
        },
        {
          "type": "I/SigI",
          "value": 2.2
        },
        {
          "type": "Completeness",
          "value": 99.84
        },
        {
          "type": "Redundancy",
          "value": 3.27
        }
      ]
    },
    {
      "resolution_limits": [1.84,1.74],
      "number_observations": 14535,
      "number_observations_unique": 4382,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.31
        },
        {
          "type": "I/SigI",
          "value": 3.6
        },
        {
          "type": "Completeness",
          "value": 99.93
        },
        {
          "type": "Redundancy",
          "value": 3.32
        }
      ]
    },
    {
      "resolution_limits": [1.97,1.84],
      "number_observations": 14037,
      "number_observations_unique": 4080,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.18
        },
        {
          "type": "I/SigI",
          "value": 6.2
        },
        {
          "type": "Completeness",
          "value": 99.86
        },
        {
          "type": "Redundancy",
          "value": 3.44
        }
      ]
    },
    {
      "resolution_limits": [2.13,1.97],
      "number_observations": 12619,
      "number_observations_unique": 3764,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.11
        },
        {
          "type": "I/SigI",
          "value": 10.2
        },
        {
          "type": "Completeness",
          "value": 99.70
        },
        {
          "type": "Redundancy",
          "value": 3.35
        }
      ]
    },
    {
      "resolution_limits": [2.33,2.13],
      "number_observations": 11411,
      "number_observations_unique": 3526,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.07
        },
        {
          "type": "I/SigI",
          "value": 15.7
        },
        {
          "type": "Completeness",
          "value": 99.74
        },
        {
          "type": "Redundancy",
          "value": 3.24
        }
      ]
    },
    {
      "resolution_limits": [2.61,2.33],
      "number_observations": 10828,
      "number_observations_unique": 3153,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.04
        },
        {
          "type": "I/SigI",
          "value": 22.3
        },
        {
          "type": "Completeness",
          "value": 99.58
        },
        {
          "type": "Redundancy",
          "value": 3.43
        }
      ]
    },
    {
      "resolution_limits": [3.01,2.61],
      "number_observations": 8773,
      "number_observations_unique": 2771,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.03
        },
        {
          "type": "I/SigI",
          "value": 29.7
        },
        {
          "type": "Completeness",
          "value": 98.74
        },
        {
          "type": "Redundancy",
          "value": 3.17
        }
      ]
    },
    {
      "resolution_limits": [3.69,3.01],
      "number_observations": 7254,
      "number_observations_unique": 2347,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.02
        },
        {
          "type": "I/SigI",
          "value": 43.8
        },
        {
          "type": "Completeness",
          "value": 98.23
        },
        {
          "type": "Redundancy",
          "value": 3.09
        }
      ]
    },
    {
      "resolution_limits": [5.22,3.69],
      "number_observations": 5919,
      "number_observations_unique": 1810,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.02
        },
        {
          "type": "I/SigI",
          "value": 59.0
        },
        {
          "type": "Completeness",
          "value": 97.78
        },
        {
          "type": "Redundancy",
          "value": 3.27
        }
      ]
    },
    {
      "resolution_limits": [51.44,5.22],
      "number_observations": 3174,
      "number_observations_unique": 1013,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.01
        },
        {
          "type": "I/SigI",
          "value": 56.8
        },
        {
          "type": "Completeness",
          "value": 95.20
        },
        {
          "type": "Redundancy",
          "value": 3.13
        }
      ]
    }
  ]

}
  

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


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