Data quality metrics extracted from 3ndq.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": "c2dd0f9ff955e6d58ae6de4fe98464e9",
  "space_group_name": "I 2 2 2",
  "unit_cell": {
    "a": 59.27,
    "b": 60.75,
    "c": 61.98,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97947],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [43.385,1.933],
    "number_observations_unique": 8564,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.079
      },
      {
        "type": "I/SigI",
        "value": 27.000
      },
      {
        "type": "Completeness",
        "value": 99.000
      },
      {
        "type": "Redundancy",
        "value": 14.200
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.04,1.933],
      "number_observations": 17758,
      "number_observations_unique": 1230,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.110
        },
        {
          "type": "I/SigI",
          "value": 5.0
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 14.40
        }
      ]
    },
    {
      "resolution_limits": [2.16,2.04],
      "number_observations": 17037,
      "number_observations_unique": 1169,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.096
        },
        {
          "type": "I/SigI",
          "value": 6.1
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 14.60
        }
      ]
    },
    {
      "resolution_limits": [2.31,2.16],
      "number_observations": 16295,
      "number_observations_unique": 1116,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.085
        },
        {
          "type": "I/SigI",
          "value": 7.1
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 14.60
        }
      ]
    },
    {
      "resolution_limits": [2.50,2.31],
      "number_observations": 15276,
      "number_observations_unique": 1049,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.074
        },
        {
          "type": "I/SigI",
          "value": 8.2
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 14.60
        }
      ]
    },
    {
      "resolution_limits": [2.73,2.50],
      "number_observations": 13745,
      "number_observations_unique": 946,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.076
        },
        {
          "type": "I/SigI",
          "value": 8.0
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 14.50
        }
      ]
    },
    {
      "resolution_limits": [3.06,2.73],
      "number_observations": 12657,
      "number_observations_unique": 874,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.069
        },
        {
          "type": "I/SigI",
          "value": 8.9
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 14.50
        }
      ]
    },
    {
      "resolution_limits": [3.53,3.06],
      "number_observations": 11110,
      "number_observations_unique": 778,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.072
        },
        {
          "type": "I/SigI",
          "value": 8.4
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 14.30
        }
      ]
    },
    {
      "resolution_limits": [4.32,3.53],
      "number_observations": 8940,
      "number_observations_unique": 658,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.085
        },
        {
          "type": "I/SigI",
          "value": 7.4
        },
        {
          "type": "Completeness",
          "value": 98.70
        },
        {
          "type": "Redundancy",
          "value": 13.60
        }
      ]
    },
    {
      "resolution_limits": [6.11,4.32],
      "number_observations": 6650,
      "number_observations_unique": 515,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.075
        },
        {
          "type": "I/SigI",
          "value": 8.1
        },
        {
          "type": "Completeness",
          "value": 98.70
        },
        {
          "type": "Redundancy",
          "value": 12.90
        }
      ]
    },
    {
      "resolution_limits": [21.69,6.11],
      "number_observations": 2508,
      "number_observations_unique": 229,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.061
        },
        {
          "type": "I/SigI",
          "value": 10.6
        },
        {
          "type": "Completeness",
          "value": 74.20
        },
        {
          "type": "Redundancy",
          "value": 11.00
        }
      ]
    }
  ]

}
  

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


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