Data quality metrics extracted from 4qc3.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": "14fde1cb32bb72e819cd7105f4cb138e",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 61.670,
    "b": 32.402,
    "c": 62.033,
    "alpha": 90.00,
    "beta": 109.82,
    "gamma": 90.00
  },
  "wavelengths": [0.97960],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [29.18,1.60],
    "number_observations_unique": 30743,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.019
      },
      {
        "type": "I/SigI",
        "value": 45.4
      },
      {
        "type": "Completeness",
        "value": 100
      },
      {
        "type": "Redundancy",
        "value": 4.3
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.70,1.60],
      "number_observations_unique": 9355,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.040
        },
        {
          "type": "I/SigI",
          "value": 18.09
        },
        {
          "type": "Completeness",
          "value": 100
        },
        {
          "type": "Redundancy",
          "value": 2.33
        }
      ]
    },
    {
      "resolution_limits": [1.81,1.70],
      "number_observations_unique": 8828,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.033
        },
        {
          "type": "I/SigI",
          "value": 21.45
        },
        {
          "type": "Completeness",
          "value": 100
        },
        {
          "type": "Redundancy",
          "value": 2.30
        }
      ]
    },
    {
      "resolution_limits": [1.96,1.81],
      "number_observations_unique": 8216,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.026
        },
        {
          "type": "I/SigI",
          "value": 27.15
        },
        {
          "type": "Completeness",
          "value": 100
        },
        {
          "type": "Redundancy",
          "value": 2.32
        }
      ]
    },
    {
      "resolution_limits": [2.14,1.96],
      "number_observations_unique": 7590,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.022
        },
        {
          "type": "I/SigI",
          "value": 33.73
        },
        {
          "type": "Completeness",
          "value": 100
        },
        {
          "type": "Redundancy",
          "value": 2.28
        }
      ]
    },
    {
      "resolution_limits": [2.39,2.14],
      "number_observations_unique": 6787,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.020
        },
        {
          "type": "I/SigI",
          "value": 39.05
        },
        {
          "type": "Completeness",
          "value": 100
        },
        {
          "type": "Redundancy",
          "value": 2.30
        }
      ]
    },
    {
      "resolution_limits": [2.76,2.39],
      "number_observations_unique": 5987,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.019
        },
        {
          "type": "I/SigI",
          "value": 42.33
        },
        {
          "type": "Completeness",
          "value": 100
        },
        {
          "type": "Redundancy",
          "value": 2.27
        }
      ]
    },
    {
      "resolution_limits": [3.37,2.76],
      "number_observations_unique": 5044,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.018
        },
        {
          "type": "I/SigI",
          "value": 47.23
        },
        {
          "type": "Completeness",
          "value": 100
        },
        {
          "type": "Redundancy",
          "value": 2.27
        }
      ]
    },
    {
      "resolution_limits": [4.74,3.37],
      "number_observations_unique": 3910,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.017
        },
        {
          "type": "I/SigI",
          "value": 50.81
        },
        {
          "type": "Completeness",
          "value": 100
        },
        {
          "type": "Redundancy",
          "value": 2.25
        }
      ]
    },
    {
      "resolution_limits": [29.18,4.74],
      "number_observations_unique": 2183,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.017
        },
        {
          "type": "I/SigI",
          "value": 50.80
        },
        {
          "type": "Completeness",
          "value": 100
        },
        {
          "type": "Redundancy",
          "value": 2.28
        }
      ]
    }
  ]

}
  

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


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