Data quality metrics extracted from 4l5h.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": "c99a0706b66f0cc7b205c85438dd1a73",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 122.21,
    "b": 52.73,
    "c": 94.39,
    "alpha": 90.00,
    "beta": 132.23,
    "gamma": 90.00
  },
  "wavelengths": [0.95664],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [12.63,1.59],
    "number_observations_unique": 29314,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.081
      },
      {
        "type": "I/SigI",
        "value": 8.5
      },
      {
        "type": "Completeness",
        "value": 75.7
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.67,1.59],
      "number_observations_unique": 4990,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.427
        },
        {
          "type": "I/SigI",
          "value": 1.8
        },
        {
          "type": "Completeness",
          "value": 78.2
        }
      ]
    },
    {
      "resolution_limits": [1.77,1.68],
      "number_observations_unique": 4748,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.285
        },
        {
          "type": "I/SigI",
          "value": 2.7
        },
        {
          "type": "Completeness",
          "value": 77.5
        }
      ]
    },
    {
      "resolution_limits": [1.89,1.78],
      "number_observations_unique": 4371,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.201
        },
        {
          "type": "I/SigI",
          "value": 3.9
        },
        {
          "type": "Completeness",
          "value": 76.9
        }
      ]
    },
    {
      "resolution_limits": [2.04,1.9],
      "number_observations_unique": 4068,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.136
        },
        {
          "type": "I/SigI",
          "value": 5.7
        },
        {
          "type": "Completeness",
          "value": 76.9
        }
      ]
    },
    {
      "resolution_limits": [2.24,2.05],
      "number_observations_unique": 3772,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.099
        },
        {
          "type": "I/SigI",
          "value": 7.7
        },
        {
          "type": "Completeness",
          "value": 76.5
        }
      ]
    },
    {
      "resolution_limits": [2.50,2.25],
      "number_observations_unique": 3382,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.078
        },
        {
          "type": "I/SigI",
          "value": 9.4
        },
        {
          "type": "Completeness",
          "value": 75.7
        }
      ]
    },
    {
      "resolution_limits": [2.89,2.51],
      "number_observations_unique": 2961,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.063
        },
        {
          "type": "I/SigI",
          "value": 11.1
        },
        {
          "type": "Completeness",
          "value": 74.5
        }
      ]
    },
    {
      "resolution_limits": [3.55,2.9],
      "number_observations_unique": 2498,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.044
        },
        {
          "type": "I/SigI",
          "value": 14.5
        },
        {
          "type": "Completeness",
          "value": 73.1
        }
      ]
    },
    {
      "resolution_limits": [5.02,3.56],
      "number_observations_unique": 1905,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.038
        },
        {
          "type": "I/SigI",
          "value": 15.3
        },
        {
          "type": "Completeness",
          "value": 70.4
        }
      ]
    },
    {
      "resolution_limits": [12.63,5.03],
      "number_observations_unique": 936,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.044
        },
        {
          "type": "I/SigI",
          "value": 12.4
        },
        {
          "type": "Completeness",
          "value": 61.9
        }
      ]
    }
  ]

}
  

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


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