Data quality metrics extracted from 1zso.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": "a3015618ec6885b399efee26b80f66f6",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 62.247,
    "b": 71.104,
    "c": 78.616,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97950,0.97970,0.95370],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.00,2.15],
    "number_observations_unique": 18151,
    "quality_factors": [
      {
        "type": "Completeness",
        "value": 92.8
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.23,2.15],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.365
        },
        {
          "type": "I/SigI",
          "value": 1.636
        }
      ]
    },
    {
      "resolution_limits": [2.32,2.23],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.349
        },
        {
          "type": "I/SigI",
          "value": 2.417
        }
      ]
    },
    {
      "resolution_limits": [2.42,2.32],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.32
        },
        {
          "type": "I/SigI",
          "value": 2.865
        }
      ]
    },
    {
      "resolution_limits": [2.55,2.42],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.317
        },
        {
          "type": "I/SigI",
          "value": 3.404
        }
      ]
    },
    {
      "resolution_limits": [2.71,2.55],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.274
        },
        {
          "type": "I/SigI",
          "value": 4.708
        }
      ]
    },
    {
      "resolution_limits": [2.92,2.71],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.202
        },
        {
          "type": "I/SigI",
          "value": 7.485
        }
      ]
    },
    {
      "resolution_limits": [3.21,2.92],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.129
        },
        {
          "type": "I/SigI",
          "value": 11.555
        }
      ]
    },
    {
      "resolution_limits": [3.68,3.21],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.074
        },
        {
          "type": "I/SigI",
          "value": 19.242
        }
      ]
    },
    {
      "resolution_limits": [4.63,3.68],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.054
        },
        {
          "type": "I/SigI",
          "value": 31.760
        }
      ]
    },
    {
      "resolution_limits": [50.00,4.63],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.049
        },
        {
          "type": "I/SigI",
          "value": 45.512
        }
      ]
    }
  ]

}
  

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


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