Data quality metrics extracted from 4dsh.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": "9afb465f71ecbd3f4372161df2614417",
  "space_group_name": "P 65 2 2",
  "unit_cell": {
    "a": 143.840,
    "b": 143.840,
    "c": 354.389,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.97949],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.08,2.25],
    "number_observations_unique": 102978,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.089
      },
      {
        "type": "I/SigI",
        "value": 17.6
      },
      {
        "type": "Redundancy",
        "value": 8.2
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.37,2.25],
      "number_observations": 107552,
      "number_observations_unique": 14746,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.526
        },
        {
          "type": "I/SigI",
          "value": 3.7
        },
        {
          "type": "Completeness",
          "value": 99.76
        },
        {
          "type": "Redundancy",
          "value": 7.3
        }
      ]
    },
    {
      "resolution_limits": [2.52,2.37],
      "number_observations": 106969,
      "number_observations_unique": 14034,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.88
        }
      ]
    },
    {
      "resolution_limits": [2.69,2.52],
      "number_observations": 105484,
      "number_observations_unique": 13206,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.98
        }
      ]
    },
    {
      "resolution_limits": [2.90,2.69],
      "number_observations": 102685,
      "number_observations_unique": 12354,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.97
        }
      ]
    },
    {
      "resolution_limits": [3.18,2.90],
      "number_observations": 98354,
      "number_observations_unique": 11402,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.94
        }
      ]
    },
    {
      "resolution_limits": [3.56,3.18],
      "number_observations": 90922,
      "number_observations_unique": 10369,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.91
        }
      ]
    },
    {
      "resolution_limits": [4.11,3.56],
      "number_observations": 79897,
      "number_observations_unique": 9212,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.92
        }
      ]
    },
    {
      "resolution_limits": [5.03,4.11],
      "number_observations": 66650,
      "number_observations_unique": 7852,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.84
        }
      ]
    },
    {
      "resolution_limits": [7.12,5.03],
      "number_observations": 53322,
      "number_observations_unique": 6218,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.91
        }
      ]
    },
    {
      "resolution_limits": [47.08,7.12],
      "number_observations": 29200,
      "number_observations_unique": 3585,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.21
        }
      ]
    }
  ]

}
  

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


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