Data quality metrics extracted from 9npc.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": "d49ae8e246916f9c5014f4ad7d907321",
  "space_group_name": "I 21 21 21",
  "unit_cell": {
    "a": 191.853,
    "b": 192.001,
    "c": 191.921,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97934],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.0,2.65],
    "number_observations_unique": 102548,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.163
      },
      {
        "type": "R(meas)",
        "value": 0.176
      },
      {
        "type": "I/SigI",
        "value": 4.60
      },
      {
        "type": "Completeness",
        "value": 99.7
      },
      {
        "type": "Redundancy",
        "value": 7.06
      },
      {
        "type": "CC(1/2)",
        "value": 0.989
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.81,2.65],
      "number_observations_unique": 19539,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.361
        },
        {
          "type": "R(meas)",
          "value": 1.916
        },
        {
          "type": "CC(1/2)",
          "value": 0.244
        }
      ]
    },
    {
      "resolution_limits": [3.0,2.81],
      "number_observations_unique": 18600,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.827
        },
        {
          "type": "R(meas)",
          "value": 1.166
        },
        {
          "type": "CC(1/2)",
          "value": 0.414
        }
      ]
    },
    {
      "resolution_limits": [3.24,3.00],
      "number_observations_unique": 17209,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.472
        },
        {
          "type": "R(meas)",
          "value": 0.665
        },
        {
          "type": "CC(1/2)",
          "value": 0.69
        }
      ]
    },
    {
      "resolution_limits": [3.55,3.24],
      "number_observations_unique": 15195,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.249
        },
        {
          "type": "R(meas)",
          "value": 0.351
        },
        {
          "type": "CC(1/2)",
          "value": 0.882
        }
      ]
    },
    {
      "resolution_limits": [3.97,3.55],
      "number_observations_unique": 14416,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.125
        },
        {
          "type": "R(meas)",
          "value": 0.176
        },
        {
          "type": "CC(1/2)",
          "value": 0.96
        }
      ]
    },
    {
      "resolution_limits": [4.58,3.97],
      "number_observations_unique": 12321,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.07
        },
        {
          "type": "R(meas)",
          "value": 0.099
        },
        {
          "type": "CC(1/2)",
          "value": 0.987
        }
      ]
    },
    {
      "resolution_limits": [5.59,4.58],
      "number_observations_unique": 10179,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.055
        },
        {
          "type": "R(meas)",
          "value": 0.078
        },
        {
          "type": "CC(1/2)",
          "value": 0.992
        }
      ]
    },
    {
      "resolution_limits": [7.85,5.59],
      "number_observations_unique": 8084,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.045
        },
        {
          "type": "R(meas)",
          "value": 0.064
        },
        {
          "type": "CC(1/2)",
          "value": 0.994
        }
      ]
    },
    {
      "resolution_limits": [48.0,7.85],
      "number_observations_unique": 4380,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.024
        },
        {
          "type": "R(meas)",
          "value": 0.034
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    }
  ]

}
  

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


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