Data quality metrics extracted from 5d7d.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": "55a90a12f7217e45fec3f3811c7ed878",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 143.300,
    "b": 55.446,
    "c": 51.029,
    "alpha": 90.00,
    "beta": 100.95,
    "gamma": 90.00
  },
  "wavelengths": [1.54180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.100,1.600],
    "number_observations": 138531,
    "number_observations_unique": 51220,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.036
      },
      {
        "type": "I/SigI",
        "value": 12.000
      },
      {
        "type": "Completeness",
        "value": 98.500
      },
      {
        "type": "Redundancy",
        "value": 2.680
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.660,1.600],
      "number_observations": 11360,
      "number_observations_unique": 4646,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.492
        },
        {
          "type": "I/SigI",
          "value": 2.200
        },
        {
          "type": "Completeness",
          "value": 90.300
        },
        {
          "type": "Redundancy",
          "value": 2.440
        }
      ]
    },
    {
      "resolution_limits": [1.720,1.660],
      "number_observations": 13460,
      "number_observations_unique": 5155,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.399
        },
        {
          "type": "I/SigI",
          "value": 2.500
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 2.610
        }
      ]
    },
    {
      "resolution_limits": [1.800,1.720],
      "number_observations": 13619,
      "number_observations_unique": 5166,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.283
        },
        {
          "type": "I/SigI",
          "value": 3.400
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 2.630
        }
      ]
    },
    {
      "resolution_limits": [1.900,1.800],
      "number_observations": 13762,
      "number_observations_unique": 5177,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.203
        },
        {
          "type": "I/SigI",
          "value": 4.600
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 2.650
        }
      ]
    },
    {
      "resolution_limits": [2.020,1.900],
      "number_observations": 13836,
      "number_observations_unique": 5151,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.142
        },
        {
          "type": "I/SigI",
          "value": 6.300
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 2.660
        }
      ]
    },
    {
      "resolution_limits": [2.170,2.020],
      "number_observations": 14099,
      "number_observations_unique": 5182,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.099
        },
        {
          "type": "I/SigI",
          "value": 9.200
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 2.680
        }
      ]
    },
    {
      "resolution_limits": [2.390,2.170],
      "number_observations": 14232,
      "number_observations_unique": 5180,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.084
        },
        {
          "type": "I/SigI",
          "value": 11.800
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 2.720
        }
      ]
    },
    {
      "resolution_limits": [2.740,2.390],
      "number_observations": 14517,
      "number_observations_unique": 5209,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.057
        },
        {
          "type": "I/SigI",
          "value": 15.900
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 2.770
        }
      ]
    },
    {
      "resolution_limits": [3.450,2.740],
      "number_observations": 14717,
      "number_observations_unique": 5190,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.038
        },
        {
          "type": "I/SigI",
          "value": 23.000
        },
        {
          "type": "Completeness",
          "value": 99.300
        },
        {
          "type": "Redundancy",
          "value": 2.820
        }
      ]
    },
    {
      "resolution_limits": [50.100,3.450],
      "number_observations": 14929,
      "number_observations_unique": 5164,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.027
        },
        {
          "type": "I/SigI",
          "value": 36.800
        },
        {
          "type": "Completeness",
          "value": 96.900
        },
        {
          "type": "Redundancy",
          "value": 2.830
        }
      ]
    }
  ]

}
  

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


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