Data quality metrics extracted from 9npn.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": "77ec71c329719ef1a0e41f2a73cb2d3e",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 123.278,
    "b": 123.715,
    "c": 133.041,
    "alpha": 89.13,
    "beta": 117.56,
    "gamma": 103.51
  },
  "wavelengths": [1.36999],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [49.15,3.1],
    "number_observations_unique": 119969,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.126
      },
      {
        "type": "R(meas)",
        "value": 0.178
      },
      {
        "type": "I/SigI",
        "value": 3.45
      },
      {
        "type": "Completeness",
        "value": 97.9
      },
      {
        "type": "Redundancy",
        "value": 3.6
      },
      {
        "type": "CC(1/2)",
        "value": 0.982
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.29,3.10],
      "number_observations_unique": 6682,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.678
        },
        {
          "type": "R(meas)",
          "value": 0.958
        },
        {
          "type": "CC(1/2)",
          "value": 0.662
        }
      ]
    },
    {
      "resolution_limits": [3.51,3.29],
      "number_observations_unique": 6570,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.515
        },
        {
          "type": "R(meas)",
          "value": 0.728
        },
        {
          "type": "CC(1/2)",
          "value": 0.583
        }
      ]
    },
    {
      "resolution_limits": [3.79,3.51],
      "number_observations_unique": 5935,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.29
        },
        {
          "type": "R(meas)",
          "value": 0.41
        },
        {
          "type": "CC(1/2)",
          "value": 0.879
        }
      ]
    },
    {
      "resolution_limits": [4.15,3.79],
      "number_observations_unique": 5280,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.206
        },
        {
          "type": "R(meas)",
          "value": 0.291
        },
        {
          "type": "CC(1/2)",
          "value": 0.899
        }
      ]
    },
    {
      "resolution_limits": [4.64,4.15],
      "number_observations_unique": 4501,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.143
        },
        {
          "type": "R(meas)",
          "value": 0.203
        },
        {
          "type": "CC(1/2)",
          "value": 0.957
        }
      ]
    },
    {
      "resolution_limits": [5.35,4.64],
      "number_observations_unique": 3737,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.112
        },
        {
          "type": "R(meas)",
          "value": 0.158
        },
        {
          "type": "CC(1/2)",
          "value": 0.972
        }
      ]
    },
    {
      "resolution_limits": [6.53,5.35],
      "number_observations_unique": 3177,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.109
        },
        {
          "type": "R(meas)",
          "value": 0.155
        },
        {
          "type": "CC(1/2)",
          "value": 0.975
        }
      ]
    },
    {
      "resolution_limits": [9.16,6.53],
      "number_observations_unique": 2447,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.068
        },
        {
          "type": "R(meas)",
          "value": 0.096
        },
        {
          "type": "CC(1/2)",
          "value": 0.989
        }
      ]
    },
    {
      "resolution_limits": [49.15,9.16],
      "number_observations_unique": 1226,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.035
        },
        {
          "type": "R(meas)",
          "value": 0.049
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    }
  ]

}
  

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


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