Data quality metrics extracted from 1zsd.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": "df0c1e64b6593b45ba44027a55454972",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 50.93,
    "b": 81.49,
    "c": 109.92,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.54180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [100.00,1.70],
    "number_observations_unique": 47652,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.079
      },
      {
        "type": "Completeness",
        "value": 93.400
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.76,1.70],
      "number_observations": 3815,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.667
        }
      ]
    },
    {
      "resolution_limits": [1.83,1.76],
      "number_observations": 4272,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.587
        }
      ]
    },
    {
      "resolution_limits": [1.91,1.83],
      "number_observations": 4565,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.429
        }
      ]
    },
    {
      "resolution_limits": [2.02,1.91],
      "number_observations": 4696,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.268
        }
      ]
    },
    {
      "resolution_limits": [2.14,2.02],
      "number_observations": 4837,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.191
        }
      ]
    },
    {
      "resolution_limits": [2.31,2.14],
      "number_observations": 4937,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.133
        }
      ]
    },
    {
      "resolution_limits": [2.54,2.31],
      "number_observations": 5047,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.094
        }
      ]
    },
    {
      "resolution_limits": [2.91,2.54],
      "number_observations": 5096,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.07
        }
      ]
    },
    {
      "resolution_limits": [3.66,2.91],
      "number_observations": 5158,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.047
        }
      ]
    },
    {
      "resolution_limits": [100.00,3.66],
      "number_observations": 5229,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.041
        }
      ]
    }
  ]

}
  

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


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