Data quality metrics extracted from 9mar.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": "c3f178a8138d1a170945df7e0e08db63",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 105.051,
    "b": 58.464,
    "c": 105.840,
    "alpha": 90.00,
    "beta": 104.98,
    "gamma": 90.00
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,2.37],
    "number_observations_unique": 50597,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 21.11
      },
      {
        "type": "Completeness",
        "value": 100
      },
      {
        "type": "Redundancy",
        "value": 6.35
      },
      {
        "type": "CC(1/2)",
        "value": 0.8383
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [50.00,10.38],
      "number_observations_unique": 664,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.1628
        }
      ]
    },
    {
      "resolution_limits": [10.38,7.43],
      "number_observations_unique": 1085,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.994
        }
      ]
    },
    {
      "resolution_limits": [7.43,6.09],
      "number_observations_unique": 1390,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.9912
        }
      ]
    },
    {
      "resolution_limits": [6.09,5.28],
      "number_observations_unique": 1606,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.9886
        }
      ]
    },
    {
      "resolution_limits": [5.28,4.73],
      "number_observations_unique": 1849,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.4129
        }
      ]
    },
    {
      "resolution_limits": [4.73,4.32],
      "number_observations_unique": 2000,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.9302
        }
      ]
    },
    {
      "resolution_limits": [4.32,4.00],
      "number_observations_unique": 2165,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.9871
        }
      ]
    },
    {
      "resolution_limits": [4.00,3.75],
      "number_observations_unique": 2326,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.9891
        }
      ]
    },
    {
      "resolution_limits": [3.75,3.53],
      "number_observations_unique": 2475,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.9919
        }
      ]
    },
    {
      "resolution_limits": [3.53,3.35],
      "number_observations_unique": 2610,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.9900
        }
      ]
    },
    {
      "resolution_limits": [3.35,3.20],
      "number_observations_unique": 2738,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.2877
        }
      ]
    },
    {
      "resolution_limits": [3.20,3.06],
      "number_observations_unique": 2874,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.9668
        }
      ]
    },
    {
      "resolution_limits": [3.06,2.94],
      "number_observations_unique": 2961,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.9871
        }
      ]
    },
    {
      "resolution_limits": [2.94,2.84],
      "number_observations_unique": 3126,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.9860
        }
      ]
    },
    {
      "resolution_limits": [2.84,2.74],
      "number_observations_unique": 3201,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.9854
        }
      ]
    },
    {
      "resolution_limits": [2.74,2.65],
      "number_observations_unique": 3287,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.9751
        }
      ]
    },
    {
      "resolution_limits": [2.65,2.57],
      "number_observations_unique": 3422,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.9736
        }
      ]
    },
    {
      "resolution_limits": [2.57,2.50],
      "number_observations_unique": 3515,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.9713
        }
      ]
    },
    {
      "resolution_limits": [2.50,2.44],
      "number_observations_unique": 3603,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.9693
        }
      ]
    },
    {
      "resolution_limits": [2.44,2.37],
      "number_observations_unique": 3700,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.9479
        }
      ]
    }
  ]

}
  

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


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