Data quality metrics extracted from 4jhd.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": "2dc4738645d06b0a0b75b72c87e7ff3e",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 53.45,
    "b": 99.80,
    "c": 118.27,
    "alpha": 65.41,
    "beta": 90.03,
    "gamma": 77.77
  },
  "wavelengths": [0.97872],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [45.021,2.91],
    "number_observations_unique": 46301,
    "quality_factors": [
      {
        "type": "Completeness",
        "value": 97.69
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.9705,2.91],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 96
        }
      ]
    },
    {
      "resolution_limits": [3.0351,2.9705],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99
        }
      ]
    },
    {
      "resolution_limits": [3.1057,3.0351],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 97
        }
      ]
    },
    {
      "resolution_limits": [3.1833,3.1057],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 97
        }
      ]
    },
    {
      "resolution_limits": [3.2693,3.1833],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 98
        }
      ]
    },
    {
      "resolution_limits": [3.3655,3.2693],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 97
        }
      ]
    },
    {
      "resolution_limits": [3.4741,3.3655],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 98
        }
      ]
    },
    {
      "resolution_limits": [3.5982,3.4741],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 97
        }
      ]
    },
    {
      "resolution_limits": [3.7422,3.5982],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 98
        }
      ]
    },
    {
      "resolution_limits": [3.9124,3.7422],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 98
        }
      ]
    },
    {
      "resolution_limits": [4.1186,3.9124],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 97
        }
      ]
    },
    {
      "resolution_limits": [4.3764,4.1186],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99
        }
      ]
    },
    {
      "resolution_limits": [4.7140,4.3764],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 98
        }
      ]
    },
    {
      "resolution_limits": [5.1878,4.7140],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 98
        }
      ]
    },
    {
      "resolution_limits": [5.9370,5.1878],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 97
        }
      ]
    },
    {
      "resolution_limits": [7.4744,5.9370],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99
        }
      ]
    },
    {
      "resolution_limits": [45.0261,7.4744],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 98
        }
      ]
    }
  ]

}
  

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


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