Data quality metrics extracted from 3obe.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": "8d1a5b3c7ef552513cea09a596897b20",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 45.745,
    "b": 48.690,
    "c": 79.880,
    "alpha": 77.80,
    "beta": 74.67,
    "gamma": 68.90
  },
  "wavelengths": [0.91837,0.97910],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [27.437,1.70],
    "number_observations_unique": 64918,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.045
      },
      {
        "type": "I/SigI",
        "value": 10.890
      },
      {
        "type": "Completeness",
        "value": 87.300
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.760,1.700],
      "number_observations": 12209,
      "number_observations_unique": 10836,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.252
        },
        {
          "type": "I/SigI",
          "value": 2.2
        },
        {
          "type": "Completeness",
          "value": 80.800
        },
        {
          "type": "Redundancy",
          "value": 1.99
        }
      ]
    },
    {
      "resolution_limits": [1.830,1.760],
      "number_observations": 12778,
      "number_observations_unique": 11387,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.186
        },
        {
          "type": "I/SigI",
          "value": 2.9
        },
        {
          "type": "Completeness",
          "value": 84.500
        }
      ]
    },
    {
      "resolution_limits": [1.910,1.830],
      "number_observations": 12472,
      "number_observations_unique": 11142,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.143
        },
        {
          "type": "I/SigI",
          "value": 4.0
        },
        {
          "type": "Completeness",
          "value": 85.000
        }
      ]
    },
    {
      "resolution_limits": [2.020,1.910],
      "number_observations": 14054,
      "number_observations_unique": 12658,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.090
        },
        {
          "type": "I/SigI",
          "value": 5.5
        },
        {
          "type": "Completeness",
          "value": 86.200
        }
      ]
    },
    {
      "resolution_limits": [2.140,2.020],
      "number_observations": 12274,
      "number_observations_unique": 11103,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.066
        },
        {
          "type": "I/SigI",
          "value": 7.6
        },
        {
          "type": "Completeness",
          "value": 86.400
        }
      ]
    },
    {
      "resolution_limits": [2.310,2.140],
      "number_observations": 13391,
      "number_observations_unique": 12203,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.048
        },
        {
          "type": "I/SigI",
          "value": 9.7
        },
        {
          "type": "Completeness",
          "value": 87.500
        }
      ]
    },
    {
      "resolution_limits": [2.540,2.310],
      "number_observations": 12924,
      "number_observations_unique": 11842,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.038
        },
        {
          "type": "I/SigI",
          "value": 12.0
        },
        {
          "type": "Completeness",
          "value": 88.300
        }
      ]
    },
    {
      "resolution_limits": [2.900,2.540],
      "number_observations": 12854,
      "number_observations_unique": 11935,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.031
        },
        {
          "type": "I/SigI",
          "value": 15.4
        },
        {
          "type": "Completeness",
          "value": 89.800
        }
      ]
    },
    {
      "resolution_limits": [3.660,2.900],
      "number_observations": 13239,
      "number_observations_unique": 12459,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.023
        },
        {
          "type": "I/SigI",
          "value": 21.0
        },
        {
          "type": "Completeness",
          "value": 91.200
        }
      ]
    },
    {
      "resolution_limits": [27.437,3.660],
      "number_observations": 13205,
      "number_observations_unique": 12698,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.021
        },
        {
          "type": "I/SigI",
          "value": 25.8
        },
        {
          "type": "Completeness",
          "value": 93.300
        }
      ]
    }
  ]

}
  

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


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