Data quality metrics extracted from 1ybx.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": "4a78d1136e51433bdb725b35966b0735",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 49.914,
    "b": 36.792,
    "c": 61.824,
    "alpha": 90.00,
    "beta": 111.93,
    "gamma": 90.00
  },
  "wavelengths": [0.97930],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.00,1.71],
    "number_observations_unique": 16740,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.063
      },
      {
        "type": "Completeness",
        "value": 73.300
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.77,1.71],
      "number_observations": 274,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.396
        },
        {
          "type": "Completeness",
          "value": 12.100
        }
      ]
    },
    {
      "resolution_limits": [1.84,1.77],
      "number_observations": 538,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.34
        },
        {
          "type": "Completeness",
          "value": 23.900
        }
      ]
    },
    {
      "resolution_limits": [1.93,1.84],
      "number_observations": 981,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.253
        },
        {
          "type": "Completeness",
          "value": 43.100
        }
      ]
    },
    {
      "resolution_limits": [2.03,1.93],
      "number_observations": 1497,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.216
        },
        {
          "type": "Completeness",
          "value": 67.200
        }
      ]
    },
    {
      "resolution_limits": [2.15,2.03],
      "number_observations": 2002,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.18
        },
        {
          "type": "Completeness",
          "value": 87.100
        }
      ]
    },
    {
      "resolution_limits": [2.32,2.15],
      "number_observations": 2213,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.139
        },
        {
          "type": "Completeness",
          "value": 98.000
        }
      ]
    },
    {
      "resolution_limits": [2.55,2.32],
      "number_observations": 2265,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.103
        },
        {
          "type": "Completeness",
          "value": 99.900
        }
      ]
    },
    {
      "resolution_limits": [2.92,2.55],
      "number_observations": 2291,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.071
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [3.68,2.92],
      "number_observations": 2312,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.051
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [50.00,3.68],
      "number_observations": 2367,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.047
        },
        {
          "type": "Completeness",
          "value": 99.800
        }
      ]
    }
  ]

}
  

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


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