Data quality metrics extracted from 13yl.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.3",
  "uuid": "88f31f9e9612251c98ea0f4fec07aa14",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 55.501,
    "b": 83.938,
    "c": 59.057,
    "alpha": 90.00,
    "beta": 108.05,
    "gamma": 90.00
  },
  "wavelengths": [0.92203],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [83.960,1.830],
    "number_observations": 306242,
    "number_observations_unique": 45485,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.239
      },
      {
        "type": "R(meas)",
        "value": 0.259
      },
      {
        "type": "R(pim)",
        "value": 0.099
      },
      {
        "type": "I/SigI",
        "value": 5.700
      },
      {
        "type": "Completeness",
        "value": 99.800
      },
      {
        "type": "Redundancy",
        "value": 6.700
      },
      {
        "type": "CC(1/2)",
        "value": 0.994
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.870,1.830],
      "number_observations": 14750,
      "number_observations_unique": 2748,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 3.674
        },
        {
          "type": "R(meas)",
          "value": 4.080
        },
        {
          "type": "R(pim)",
          "value": 1.752
        },
        {
          "type": "I/SigI",
          "value": 0.300
        },
        {
          "type": "Completeness",
          "value": 97.400
        },
        {
          "type": "Redundancy",
          "value": 5.400
        },
        {
          "type": "CC(1/2)",
          "value": 0.520
        }
      ]
    },
    {
      "resolution_limits": [83.960,8.960],
      "number_observations": 2495,
      "number_observations_unique": 418,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.081
        },
        {
          "type": "R(meas)",
          "value": 0.089
        },
        {
          "type": "R(pim)",
          "value": 0.036
        },
        {
          "type": "I/SigI",
          "value": 38.200
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 6.000
        },
        {
          "type": "CC(1/2)",
          "value": 0.992
        }
      ]
    }
  ]

}
  

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


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