Data quality metrics extracted from 3pow.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": "7e31be735b0a394a16624f1ff4cbee6d",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 42.89,
    "b": 70.39,
    "c": 91.82,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.87260],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [20,1.540],
    "number_observations_unique": 39833,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.07
      },
      {
        "type": "Completeness",
        "value": 96.8
      },
      {
        "type": "Redundancy",
        "value": 4.7
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.640,1.540],
      "number_observations": 847,
      "number_observations_unique": 847,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 1.500
        }
      ]
    },
    {
      "resolution_limits": [1.750,1.640],
      "number_observations": 1102,
      "number_observations_unique": 1102,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 2.300
        }
      ]
    },
    {
      "resolution_limits": [1.890,1.750],
      "number_observations": 1040,
      "number_observations_unique": 1040,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 2.300
        }
      ]
    },
    {
      "resolution_limits": [2.070,1.890],
      "number_observations": 785,
      "number_observations_unique": 785,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 1.900
        }
      ]
    },
    {
      "resolution_limits": [2.310,2.070],
      "number_observations": 744,
      "number_observations_unique": 744,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 2.000
        }
      ]
    },
    {
      "resolution_limits": [2.660,2.310],
      "number_observations": 781,
      "number_observations_unique": 781,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 2.400
        }
      ]
    },
    {
      "resolution_limits": [3.250,2.660],
      "number_observations": 677,
      "number_observations_unique": 677,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 2.400
        }
      ]
    },
    {
      "resolution_limits": [4.550,3.250],
      "number_observations": 430,
      "number_observations_unique": 430,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 2.000
        }
      ]
    },
    {
      "resolution_limits": [20,4.550],
      "number_observations": 299,
      "number_observations_unique": 299,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 2.400
        }
      ]
    }
  ]

}
  

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


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