Data quality metrics extracted from 2omx.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": "2df0e48b17e8903ddcbd9ea7804bc6d2",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 44.887,
    "b": 54.160,
    "c": 68.811,
    "alpha": 74.75,
    "beta": 80.69,
    "gamma": 67.71
  },
  "wavelengths": [0.81000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [20.000,1.650],
    "number_observations_unique": 62497,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.092
      },
      {
        "type": "I/SigI",
        "value": 7.500
      },
      {
        "type": "Completeness",
        "value": 90.700
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.71,1.65],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.715
        },
        {
          "type": "Completeness",
          "value": 64.10
        }
      ]
    },
    {
      "resolution_limits": [1.78,1.71],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.688
        },
        {
          "type": "Completeness",
          "value": 77.20
        }
      ]
    },
    {
      "resolution_limits": [1.86,1.78],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.624
        },
        {
          "type": "Completeness",
          "value": 88.20
        }
      ]
    },
    {
      "resolution_limits": [1.96,1.86],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.393
        },
        {
          "type": "Completeness",
          "value": 92.70
        }
      ]
    },
    {
      "resolution_limits": [2.08,1.96],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.235
        },
        {
          "type": "Completeness",
          "value": 95.00
        }
      ]
    },
    {
      "resolution_limits": [2.24,2.08],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.175
        },
        {
          "type": "Completeness",
          "value": 95.70
        }
      ]
    },
    {
      "resolution_limits": [2.46,2.24],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.135
        },
        {
          "type": "Completeness",
          "value": 97.30
        }
      ]
    },
    {
      "resolution_limits": [2.82,2.46],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.103
        },
        {
          "type": "Completeness",
          "value": 98.60
        }
      ]
    },
    {
      "resolution_limits": [3.55,2.82],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.057
        },
        {
          "type": "Completeness",
          "value": 99.00
        }
      ]
    },
    {
      "resolution_limits": [20.00,3.55],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.036
        },
        {
          "type": "Completeness",
          "value": 99.60
        }
      ]
    }
  ]

}
  

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


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