Data quality metrics extracted from 1yqc.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": "b800a98e50ff140c20198936c498e4e1",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 43.047,
    "b": 74.466,
    "c": 56.364,
    "alpha": 90.000,
    "beta": 103.894,
    "gamma": 90.000
  },
  "wavelengths": [0.96110,0.98000,0.98020],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.0,1.71],
    "number_observations_unique": 36248,
    "quality_factors": [
      {
        "type": "Completeness",
        "value": 96.200
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.77,1.71],
      "number_observations": 7311,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.375
        }
      ]
    },
    {
      "resolution_limits": [1.84,1.77],
      "number_observations": 7340,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.292
        }
      ]
    },
    {
      "resolution_limits": [1.93,1.84],
      "number_observations": 7294,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.199
        }
      ]
    },
    {
      "resolution_limits": [2.03,1.93],
      "number_observations": 7402,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.142
        }
      ]
    },
    {
      "resolution_limits": [2.15,2.03],
      "number_observations": 7395,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.102
        }
      ]
    },
    {
      "resolution_limits": [2.32,2.15],
      "number_observations": 5407,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.089
        }
      ]
    },
    {
      "resolution_limits": [2.55,2.32],
      "number_observations": 7359,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.061
        }
      ]
    },
    {
      "resolution_limits": [2.92,2.55],
      "number_observations": 7381,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.042
        }
      ]
    },
    {
      "resolution_limits": [3.68,2.92],
      "number_observations": 6774,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.031
        }
      ]
    },
    {
      "resolution_limits": [50.00,3.68],
      "number_observations": 7167,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.027
        }
      ]
    }
  ]

}
  

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


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