Data quality metrics extracted from 9nj1.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.3",
  "uuid": "d40ca6de048d7ea2a7b5bbf2ca9d6252",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 106.210,
    "b": 203.912,
    "c": 292.480,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.92000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [34.88,3.15],
    "number_observations_unique": 108981,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.356
      },
      {
        "type": "I/SigI",
        "value": 5.1
      },
      {
        "type": "Completeness",
        "value": 98.57
      },
      {
        "type": "Redundancy",
        "value": 6.9
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.26,3.15],
      "number_observations_unique": 10701,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.521
        }
      ]
    },
    {
      "resolution_limits": [3.39,3.26],
      "number_observations_unique": 10882,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.179
        }
      ]
    },
    {
      "resolution_limits": [3.55,3.39],
      "number_observations_unique": 10917,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.919
        }
      ]
    },
    {
      "resolution_limits": [3.73,3.55],
      "number_observations_unique": 10757,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.666
        }
      ]
    },
    {
      "resolution_limits": [3.97,3.73],
      "number_observations_unique": 10664,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.483
        }
      ]
    },
    {
      "resolution_limits": [4.27,3.97],
      "number_observations_unique": 10891,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.355
        }
      ]
    },
    {
      "resolution_limits": [4.70,4.27],
      "number_observations_unique": 10975,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.247
        }
      ]
    },
    {
      "resolution_limits": [5.38,4.70],
      "number_observations_unique": 10984,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.225
        }
      ]
    },
    {
      "resolution_limits": [6.77,5.38],
      "number_observations_unique": 11078,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.217
        }
      ]
    },
    {
      "resolution_limits": [34.88,6.77],
      "number_observations_unique": 11132,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.094
        }
      ]
    }
  ]

}
  

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


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