Data quality metrics extracted from 4l5y.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": "1f4953e4e1e7cd632abd3a1151887cf7",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 80.626,
    "b": 82.400,
    "c": 150.286,
    "alpha": 90.0,
    "beta": 101.6,
    "gamma": 90.0
  },
  "wavelengths": [1.45900],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [20.0,2.0957],
    "number_observations_unique": 111617,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.102
      },
      {
        "type": "I/SigI",
        "value": 10.160
      },
      {
        "type": "Completeness",
        "value": 98.400
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.220,2.0957],
      "number_observations": 67754,
      "number_observations_unique": 17346,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.626
        },
        {
          "type": "I/SigI",
          "value": 2.350
        },
        {
          "type": "Completeness",
          "value": 95.900
        }
      ]
    },
    {
      "resolution_limits": [2.370,2.220],
      "number_observations": 67607,
      "number_observations_unique": 16639,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.431
        },
        {
          "type": "I/SigI",
          "value": 3.370
        },
        {
          "type": "Completeness",
          "value": 98.200
        }
      ]
    },
    {
      "resolution_limits": [2.560,2.370],
      "number_observations": 65149,
      "number_observations_unique": 15666,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.311
        },
        {
          "type": "I/SigI",
          "value": 4.560
        },
        {
          "type": "Completeness",
          "value": 98.600
        }
      ]
    },
    {
      "resolution_limits": [2.800,2.560],
      "number_observations": 60271,
      "number_observations_unique": 14435,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.200
        },
        {
          "type": "I/SigI",
          "value": 6.710
        },
        {
          "type": "Completeness",
          "value": 99.000
        }
      ]
    },
    {
      "resolution_limits": [3.120,2.800],
      "number_observations": 55280,
      "number_observations_unique": 13201,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.130
        },
        {
          "type": "I/SigI",
          "value": 9.660
        },
        {
          "type": "Completeness",
          "value": 99.300
        }
      ]
    },
    {
      "resolution_limits": [3.590,3.120],
      "number_observations": 49048,
      "number_observations_unique": 11712,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.080
        },
        {
          "type": "I/SigI",
          "value": 15.220
        },
        {
          "type": "Completeness",
          "value": 99.600
        }
      ]
    },
    {
      "resolution_limits": [4.360,3.590],
      "number_observations": 41558,
      "number_observations_unique": 9968,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.053
        },
        {
          "type": "I/SigI",
          "value": 22.950
        },
        {
          "type": "Completeness",
          "value": 99.600
        }
      ]
    },
    {
      "resolution_limits": [6.030,4.360],
      "number_observations": 32804,
      "number_observations_unique": 7880,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.045
        },
        {
          "type": "I/SigI",
          "value": 25.840
        },
        {
          "type": "Completeness",
          "value": 99.800
        }
      ]
    },
    {
      "resolution_limits": [20.00,6.030],
      "number_observations": 19651,
      "number_observations_unique": 4770,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.040
        },
        {
          "type": "I/SigI",
          "value": 27.320
        },
        {
          "type": "Completeness",
          "value": 96.500
        }
      ]
    }
  ]

}
  

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


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