Data quality metrics extracted from 7yb1.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": "3ea14a76003fa0ea10f20383472d7ec8",
  "space_group_name": "P 41 21 2",
  "unit_cell": {
    "a": 124.624,
    "b": 124.624,
    "c": 134.213,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.54200],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [23.66,2.988],
    "number_observations_unique": 15527,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.156
      },
      {
        "type": "I/SigI",
        "value": 7.2
      },
      {
        "type": "Completeness",
        "value": 99.170
      },
      {
        "type": "Redundancy",
        "value": 5.130
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.095,2.988],
      "number_observations_unique": 41362,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.649
        }
      ]
    },
    {
      "resolution_limits": [3.218,3.095],
      "number_observations_unique": 37462,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.600
        }
      ]
    },
    {
      "resolution_limits": [3.364,3.218],
      "number_observations_unique": 33326,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.574
        }
      ]
    },
    {
      "resolution_limits": [3.541,3.364],
      "number_observations_unique": 29168,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.470
        }
      ]
    },
    {
      "resolution_limits": [3.762,3.541],
      "number_observations_unique": 25037,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.407
        }
      ]
    },
    {
      "resolution_limits": [4.051,3.762],
      "number_observations_unique": 20893,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.379
        }
      ]
    },
    {
      "resolution_limits": [4.457,4.051],
      "number_observations_unique": 16752,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.321
        }
      ]
    },
    {
      "resolution_limits": [5.096,4.457],
      "number_observations_unique": 12589,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.310
        }
      ]
    },
    {
      "resolution_limits": [6.399,5.096],
      "number_observations_unique": 8413,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.362
        }
      ]
    }
  ]

}
  

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


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