Data quality metrics extracted from 3q1m.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": "3fbeb91d29476f42dd679a6794fb7402",
  "space_group_name": "P 43 2 2",
  "unit_cell": {
    "a": 106.525,
    "b": 106.525,
    "c": 146.469,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97946],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,3.2],
    "number_observations_unique": 12613,
    "quality_factors": [
      {
        "type": "Completeness",
        "value": 86.9
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.21,3.1],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 52.0
        }
      ]
    },
    {
      "resolution_limits": [3.34,3.21],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 72.2
        }
      ]
    },
    {
      "resolution_limits": [3.49,3.34],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 88.5
        }
      ]
    },
    {
      "resolution_limits": [3.91,3.49],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 98
        }
      ]
    },
    {
      "resolution_limits": [6.67,3.91],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 100
        }
      ]
    },
    {
      "resolution_limits": [50,6.67],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 100
        }
      ]
    }
  ]

}
  

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


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