Data quality metrics extracted from 7s2e.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": "7b7ee2673e8d2f646452bc48faa5a7b3",
  "space_group_name": "P 43 21 2",
  "unit_cell": {
    "a": 78.335,
    "b": 78.335,
    "c": 36.919,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.54184],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [22.16,1.600],
    "number_observations_unique": 29921,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.104
      },
      {
        "type": "I/SigI",
        "value": 8.56
      },
      {
        "type": "Completeness",
        "value": 99.890
      },
      {
        "type": "Redundancy",
        "value": 7.610
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.657,1.600],
      "number_observations_unique": 29921,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.327
        }
      ]
    },
    {
      "resolution_limits": [1.723,1.657],
      "number_observations_unique": 26991,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.263
        }
      ]
    },
    {
      "resolution_limits": [1.802,1.723],
      "number_observations_unique": 24037,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.195
        }
      ]
    },
    {
      "resolution_limits": [1.897,1.802],
      "number_observations_unique": 21067,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.147
        }
      ]
    },
    {
      "resolution_limits": [2.015,1.897],
      "number_observations_unique": 18089,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.124
        }
      ]
    },
    {
      "resolution_limits": [2.171,2.015],
      "number_observations_unique": 15089,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.114
        }
      ]
    },
    {
      "resolution_limits": [2.389,2.171],
      "number_observations_unique": 12115,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.109
        }
      ]
    },
    {
      "resolution_limits": [2.734,2.389],
      "number_observations_unique": 9126,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.101
        }
      ]
    },
    {
      "resolution_limits": [3.443,2.734],
      "number_observations_unique": 6141,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.093
        }
      ]
    },
    {
      "resolution_limits": [22.16,3.443],
      "number_observations_unique": 3110,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.086
        }
      ]
    }
  ]

}
  

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


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