Data quality metrics extracted from 5d1y.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": "595950b4eb654ee6b23c65d91bc95d07",
  "space_group_name": "P 41 3 2",
  "unit_cell": {
    "a": 356.01,
    "b": 356.01,
    "c": 356.01,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.91790],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [79.8610,9.00],
    "number_observations": 50847,
    "number_observations_unique": 6141,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.274
      },
      {
        "type": "I/SigI",
        "value": 6.9
      },
      {
        "type": "Completeness",
        "value": 99.800
      },
      {
        "type": "Redundancy",
        "value": 15.7
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [10.1,9.00],
      "number_observations_unique": 322,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.962
        },
        {
          "type": "I/SigI",
          "value": 1.7
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 16.5
        }
      ]
    },
    {
      "resolution_limits": [11.850,11.390],
      "number_observations_unique": 340,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.444
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 15.000
        }
      ]
    },
    {
      "resolution_limits": [12.380,11.850],
      "number_observations_unique": 318,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.408
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 15.500
        }
      ]
    },
    {
      "resolution_limits": [13.030,12.380],
      "number_observations_unique": 334,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.343
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 15.500
        }
      ]
    },
    {
      "resolution_limits": [13.850,13.030],
      "number_observations_unique": 336,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.305
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 15.300
        }
      ]
    },
    {
      "resolution_limits": [14.910,13.850],
      "number_observations_unique": 339,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.270
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 14.700
        }
      ]
    },
    {
      "resolution_limits": [16.400,14.910],
      "number_observations_unique": 337,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.221
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 14.600
        }
      ]
    },
    {
      "resolution_limits": [18.740,16.400],
      "number_observations_unique": 353,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.185
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 15.000
        }
      ]
    },
    {
      "resolution_limits": [23.520,18.740],
      "number_observations_unique": 355,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.141
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 15.000
        }
      ]
    },
    {
      "resolution_limits": [80.000,23.520],
      "number_observations_unique": 392,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.082
        },
        {
          "type": "Completeness",
          "value": 98.000
        },
        {
          "type": "Redundancy",
          "value": 13.200
        }
      ]
    }
  ]

}
  

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


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