Data quality metrics extracted from 7s28.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": "0a2c816da4488f3ec198216eacda3a97",
  "space_group_name": "P 43 21 2",
  "unit_cell": {
    "a": 78.495,
    "b": 78.495,
    "c": 36.980,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.54184],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [22.21,1.600],
    "number_observations_unique": 15818,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.074
      },
      {
        "type": "I/SigI",
        "value": 11.02
      },
      {
        "type": "Completeness",
        "value": 99.890
      },
      {
        "type": "Redundancy",
        "value": 9.040
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.657,1.600],
      "number_observations_unique": 27127,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.257
        }
      ]
    },
    {
      "resolution_limits": [1.723,1.657],
      "number_observations_unique": 24173,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.210
        }
      ]
    },
    {
      "resolution_limits": [1.802,1.723],
      "number_observations_unique": 21161,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.164
        }
      ]
    },
    {
      "resolution_limits": [1.897,1.802],
      "number_observations_unique": 18202,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.127
        }
      ]
    },
    {
      "resolution_limits": [2.015,1.897],
      "number_observations_unique": 15172,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.105
        }
      ]
    },
    {
      "resolution_limits": [2.171,2.015],
      "number_observations_unique": 12176,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.091
        }
      ]
    },
    {
      "resolution_limits": [2.389,2.171],
      "number_observations_unique": 9180,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.086
        }
      ]
    },
    {
      "resolution_limits": [2.734,2.389],
      "number_observations_unique": 6166,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.075
        }
      ]
    },
    {
      "resolution_limits": [3.443,2.734],
      "number_observations_unique": 3118,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.063
        }
      ]
    },
    {
      "resolution_limits": [22.21,3.443],
      "number_observations_unique": 29178,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.053
        }
      ]
    }
  ]

}
  

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


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