Data quality metrics extracted from 9mb4.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": "fd761e10e8e7cbb3a8602e1f3ac5616c",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 70.170,
    "b": 73.601,
    "c": 77.476,
    "alpha": 90.00,
    "beta": 89.91,
    "gamma": 90.00
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,2.44],
    "number_observations_unique": 29392,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 13.65
      },
      {
        "type": "Completeness",
        "value": 99.6
      },
      {
        "type": "Redundancy",
        "value": 12.93
      },
      {
        "type": "CC(1/2)",
        "value": 0.9804
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [50.00,10.59],
      "number_observations_unique": 375,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.9988
        }
      ]
    },
    {
      "resolution_limits": [10.59,7.61],
      "number_observations_unique": 640,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.9990
        }
      ]
    },
    {
      "resolution_limits": [7.61,6.25],
      "number_observations_unique": 793,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.9965
        }
      ]
    },
    {
      "resolution_limits": [6.25,5.42],
      "number_observations_unique": 947,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.9972
        }
      ]
    },
    {
      "resolution_limits": [5.42,4.86],
      "number_observations_unique": 1046,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.9966
        }
      ]
    },
    {
      "resolution_limits": [4.86,4.44],
      "number_observations_unique": 1163,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.9963
        }
      ]
    },
    {
      "resolution_limits": [4.44,4.11],
      "number_observations_unique": 1245,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.9957
        }
      ]
    },
    {
      "resolution_limits": [4.11,3.85],
      "number_observations_unique": 1362,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.9933
        }
      ]
    },
    {
      "resolution_limits": [3.85,3.63],
      "number_observations_unique": 1438,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.9902
        }
      ]
    },
    {
      "resolution_limits": [3.63,3.45],
      "number_observations_unique": 1515,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.9871
        }
      ]
    },
    {
      "resolution_limits": [3.45,3.29],
      "number_observations_unique": 1592,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.9867
        }
      ]
    },
    {
      "resolution_limits": [3.29,3.15],
      "number_observations_unique": 1666,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.9799
        }
      ]
    },
    {
      "resolution_limits": [3.15,3.03],
      "number_observations_unique": 1749,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.9723
        }
      ]
    },
    {
      "resolution_limits": [3.03,2.92],
      "number_observations_unique": 1772,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.9731
        }
      ]
    },
    {
      "resolution_limits": [2.92,2.82],
      "number_observations_unique": 1863,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.9624
        }
      ]
    },
    {
      "resolution_limits": [2.82,2.73],
      "number_observations_unique": 1951,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.9490
        }
      ]
    },
    {
      "resolution_limits": [2.73,2.65],
      "number_observations_unique": 1999,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.9426
        }
      ]
    },
    {
      "resolution_limits": [2.65,2.57],
      "number_observations_unique": 2059,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.4758
        }
      ]
    },
    {
      "resolution_limits": [2.57,2.51],
      "number_observations_unique": 2065,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.9330
        }
      ]
    },
    {
      "resolution_limits": [2.51,2.44],
      "number_observations_unique": 2152,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.8654
        }
      ]
    }
  ]

}
  

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


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