Data quality metrics extracted from 3ooh.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": "80215008c2b13b85a4338a2a57a77303",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 94.447,
    "b": 165.923,
    "c": 135.376,
    "alpha": 90.00,
    "beta": 99.69,
    "gamma": 90.00
  },
  "wavelengths": [0.95370],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.2,2.9],
    "number_observations_unique": 89913,
    "quality_factors": [
      {
        "type": "Completeness",
        "value": 100
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.06,2.90],
      "number_observations": 24250,
      "number_observations_unique": 7202,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 54.55
        }
      ]
    },
    {
      "resolution_limits": [3.24,3.06],
      "number_observations": 30950,
      "number_observations_unique": 9096,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 72.95
        }
      ]
    },
    {
      "resolution_limits": [3.47,3.24],
      "number_observations": 35469,
      "number_observations_unique": 10622,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 90.75
        }
      ]
    },
    {
      "resolution_limits": [3.74,3.47],
      "number_observations": 35405,
      "number_observations_unique": 10787,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 98.44
        }
      ]
    },
    {
      "resolution_limits": [4.10,3.74],
      "number_observations": 32523,
      "number_observations_unique": 9913,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 98.25
        }
      ]
    },
    {
      "resolution_limits": [4.59,4.10],
      "number_observations": 29373,
      "number_observations_unique": 8907,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 98.13
        }
      ]
    },
    {
      "resolution_limits": [5.29,4.59],
      "number_observations": 25970,
      "number_observations_unique": 7864,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 97.82
        }
      ]
    },
    {
      "resolution_limits": [6.48,5.29],
      "number_observations": 21936,
      "number_observations_unique": 6611,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 97.62
        }
      ]
    },
    {
      "resolution_limits": [9.17,6.48],
      "number_observations": 16990,
      "number_observations_unique": 5110,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 97.06
        }
      ]
    },
    {
      "resolution_limits": [55.72,9.17],
      "number_observations": 9188,
      "number_observations_unique": 2763,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 95.13
        }
      ]
    }
  ]

}
  

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


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