Data quality metrics extracted from 4ly6.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": "15c4bbc159f65c35c66939fa8dadcaba",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 119.339,
    "b": 130.037,
    "c": 206.368,
    "alpha": 90.00,
    "beta": 89.73,
    "gamma": 89.90
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [37.860,3.600],
    "number_observations_unique": 109790,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.084
      },
      {
        "type": "I/SigI",
        "value": 5.000
      },
      {
        "type": "Completeness",
        "value": 76.400
      },
      {
        "type": "Redundancy",
        "value": 1.660
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.730,3.600],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.363
        },
        {
          "type": "I/SigI",
          "value": 1.200
        },
        {
          "type": "Completeness",
          "value": 44.300
        },
        {
          "type": "Redundancy",
          "value": 1.500
        }
      ]
    },
    {
      "resolution_limits": [3.880,3.730],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.318
        },
        {
          "type": "I/SigI",
          "value": 1.400
        },
        {
          "type": "Completeness",
          "value": 77.300
        },
        {
          "type": "Redundancy",
          "value": 1.630
        }
      ]
    },
    {
      "resolution_limits": [4.050,3.880],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.234
        },
        {
          "type": "I/SigI",
          "value": 1.800
        },
        {
          "type": "Completeness",
          "value": 54.900
        },
        {
          "type": "Redundancy",
          "value": 1.590
        }
      ]
    },
    {
      "resolution_limits": [4.270,4.050],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.204
        },
        {
          "type": "I/SigI",
          "value": 2.300
        },
        {
          "type": "Completeness",
          "value": 80.200
        },
        {
          "type": "Redundancy",
          "value": 1.670
        }
      ]
    },
    {
      "resolution_limits": [4.530,4.270],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.132
        },
        {
          "type": "I/SigI",
          "value": 3.700
        },
        {
          "type": "Completeness",
          "value": 80.400
        },
        {
          "type": "Redundancy",
          "value": 1.670
        }
      ]
    },
    {
      "resolution_limits": [4.880,4.530],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.108
        },
        {
          "type": "I/SigI",
          "value": 4.600
        },
        {
          "type": "Completeness",
          "value": 81.900
        },
        {
          "type": "Redundancy",
          "value": 1.690
        }
      ]
    },
    {
      "resolution_limits": [5.370,4.880],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.103
        },
        {
          "type": "I/SigI",
          "value": 4.800
        },
        {
          "type": "Completeness",
          "value": 84.600
        },
        {
          "type": "Redundancy",
          "value": 1.670
        }
      ]
    },
    {
      "resolution_limits": [6.150,5.370],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.093
        },
        {
          "type": "I/SigI",
          "value": 5.600
        },
        {
          "type": "Completeness",
          "value": 86.700
        },
        {
          "type": "Redundancy",
          "value": 1.660
        }
      ]
    },
    {
      "resolution_limits": [7.740,6.150],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.069
        },
        {
          "type": "I/SigI",
          "value": 7.500
        },
        {
          "type": "Completeness",
          "value": 89.400
        },
        {
          "type": "Redundancy",
          "value": 1.710
        }
      ]
    },
    {
      "resolution_limits": [37.860,7.740],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.038
        },
        {
          "type": "I/SigI",
          "value": 13.400
        },
        {
          "type": "Completeness",
          "value": 84.800
        },
        {
          "type": "Redundancy",
          "value": 1.660
        }
      ]
    }
  ]

}
  

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


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