Data quality metrics extracted from 4m1d.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": "14dfd6b7a35af9d110f7c2985878ff32",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 179.836,
    "b": 59.781,
    "c": 137.066,
    "alpha": 90.00,
    "beta": 127.35,
    "gamma": 90.00
  },
  "wavelengths": [1.03320],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.00,1.63],
    "number_observations_unique": 134437,
    "quality_factors": [
      {
        "type": "Completeness",
        "value": 93.9
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.66,1.63],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 49.5
        }
      ]
    },
    {
      "resolution_limits": [1.69,1.66],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 68.9
        }
      ]
    },
    {
      "resolution_limits": [1.72,1.69],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 81.7
        }
      ]
    },
    {
      "resolution_limits": [1.76,1.72],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 91.9
        }
      ]
    },
    {
      "resolution_limits": [1.79,1.76],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 97.0
        }
      ]
    },
    {
      "resolution_limits": [1.84,1.79],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 98.5
        }
      ]
    },
    {
      "resolution_limits": [1.88,1.84],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.0
        }
      ]
    },
    {
      "resolution_limits": [1.93,1.88],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.2
        }
      ]
    },
    {
      "resolution_limits": [1.99,1.93],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.4
        }
      ]
    },
    {
      "resolution_limits": [2.05,1.99],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.3
        }
      ]
    },
    {
      "resolution_limits": [2.13,2.05],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.0
        }
      ]
    },
    {
      "resolution_limits": [2.21,2.13],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.3
        }
      ]
    },
    {
      "resolution_limits": [2.31,2.21],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.0
        }
      ]
    },
    {
      "resolution_limits": [2.43,2.31],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.2
        }
      ]
    },
    {
      "resolution_limits": [2.59,2.43],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.5
        }
      ]
    },
    {
      "resolution_limits": [2.79,2.59],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.7
        }
      ]
    },
    {
      "resolution_limits": [3.07,2.79],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.7
        }
      ]
    },
    {
      "resolution_limits": [3.51,3.07],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.8
        }
      ]
    },
    {
      "resolution_limits": [4.42,3.51],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.9
        }
      ]
    },
    {
      "resolution_limits": [50.0,4.42],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 98.4
        }
      ]
    }
  ]

}
  

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


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