Data quality metrics extracted from 4och.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": "c40fa610f3cbbf2f5e7855f63d627a68",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 24.98,
    "b": 47.51,
    "c": 30.81,
    "alpha": 90.00,
    "beta": 99.52,
    "gamma": 90.00
  },
  "wavelengths": [0.97930],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [30,1.40],
    "number_observations_unique": 13788,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.07
      },
      {
        "type": "I/SigI",
        "value": 14.02
      },
      {
        "type": "Completeness",
        "value": 98.1
      },
      {
        "type": "Redundancy",
        "value": 3.6
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.44,1.40],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.70
        },
        {
          "type": "I/SigI",
          "value": 2.39
        },
        {
          "type": "Completeness",
          "value": 97.8
        },
        {
          "type": "Redundancy",
          "value": 3.7
        }
      ]
    },
    {
      "resolution_limits": [1.48,1.44],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 97.8
        }
      ]
    },
    {
      "resolution_limits": [1.52,1.48],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 98.4
        }
      ]
    },
    {
      "resolution_limits": [1.57,1.52],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 98.6
        }
      ]
    },
    {
      "resolution_limits": [1.62,1.57],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 98.7
        }
      ]
    },
    {
      "resolution_limits": [1.67,1.62],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.3
        }
      ]
    }
  ]

}
  

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


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