Data quality metrics extracted from 4flb.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": "bf2d9ae8a7cc4cd2ef1fc07f93bd6790",
  "space_group_name": "P 43 21 2",
  "unit_cell": {
    "a": 40.339,
    "b": 40.339,
    "c": 145.750,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.54180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [28.5400,1.80],
    "number_observations_unique": 11740,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.093
      },
      {
        "type": "I/SigI",
        "value": 25.0113
      },
      {
        "type": "Completeness",
        "value": 98.86
      },
      {
        "type": "Redundancy",
        "value": 12.46
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.90,1.80],
      "number_observations": 20732,
      "number_observations_unique": 1628,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.75
        },
        {
          "type": "Completeness",
          "value": 97.08
        },
        {
          "type": "Redundancy",
          "value": 12.73
        }
      ]
    },
    {
      "resolution_limits": [2.01,1.90],
      "number_observations": 20480,
      "number_observations_unique": 1570,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.45
        },
        {
          "type": "Completeness",
          "value": 98.27
        },
        {
          "type": "Redundancy",
          "value": 13.04
        }
      ]
    },
    {
      "resolution_limits": [2.15,2.01],
      "number_observations": 19131,
      "number_observations_unique": 1461,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.24
        },
        {
          "type": "Completeness",
          "value": 98.63
        },
        {
          "type": "Redundancy",
          "value": 13.09
        }
      ]
    },
    {
      "resolution_limits": [2.33,2.15],
      "number_observations": 18091,
      "number_observations_unique": 1393,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.18
        },
        {
          "type": "Completeness",
          "value": 99.10
        },
        {
          "type": "Redundancy",
          "value": 12.99
        }
      ]
    },
    {
      "resolution_limits": [2.55,2.33],
      "number_observations": 16662,
      "number_observations_unique": 1298,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.14
        },
        {
          "type": "Completeness",
          "value": 99.31
        },
        {
          "type": "Redundancy",
          "value": 12.84
        }
      ]
    },
    {
      "resolution_limits": [2.85,2.55],
      "number_observations": 14975,
      "number_observations_unique": 1197,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.11
        },
        {
          "type": "Completeness",
          "value": 99.65
        },
        {
          "type": "Redundancy",
          "value": 12.51
        }
      ]
    },
    {
      "resolution_limits": [3.29,2.85],
      "number_observations": 12952,
      "number_observations_unique": 1052,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.07
        },
        {
          "type": "Completeness",
          "value": 99.74
        },
        {
          "type": "Redundancy",
          "value": 12.31
        }
      ]
    },
    {
      "resolution_limits": [4.03,3.29],
      "number_observations": 10966,
      "number_observations_unique": 943,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.05
        },
        {
          "type": "Completeness",
          "value": 99.97
        },
        {
          "type": "Redundancy",
          "value": 11.63
        }
      ]
    },
    {
      "resolution_limits": [5.70,4.03],
      "number_observations": 8083,
      "number_observations_unique": 744,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.03
        },
        {
          "type": "Completeness",
          "value": 99.96
        },
        {
          "type": "Redundancy",
          "value": 10.86
        }
      ]
    },
    {
      "resolution_limits": [28.52,5.70],
      "number_observations": 4239,
      "number_observations_unique": 454,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.03
        },
        {
          "type": "Completeness",
          "value": 98.63
        },
        {
          "type": "Redundancy",
          "value": 9.34
        }
      ]
    }
  ]

}
  

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


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