Data quality metrics extracted from 2ori.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": "b5d3cfb558f3331af3368ed5a717ffb8",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 34.694,
    "b": 75.136,
    "c": 77.523,
    "alpha": 90.00,
    "beta": 98.37,
    "gamma": 90.00
  },
  "wavelengths": [1.54180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [19.990,1.600],
    "number_observations_unique": 49183,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.052
      },
      {
        "type": "I/SigI",
        "value": 16.600
      },
      {
        "type": "Completeness",
        "value": 94.800
      },
      {
        "type": "Redundancy",
        "value": 3.040
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.66,1.60],
      "number_observations": 11853,
      "number_observations_unique": 4403,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.242
        },
        {
          "type": "I/SigI",
          "value": 4.4
        },
        {
          "type": "Completeness",
          "value": 84.90
        },
        {
          "type": "Redundancy",
          "value": 2.69
        }
      ]
    },
    {
      "resolution_limits": [1.72,1.66],
      "number_observations": 14567,
      "number_observations_unique": 4778,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.215
        },
        {
          "type": "I/SigI",
          "value": 4.9
        },
        {
          "type": "Completeness",
          "value": 92.80
        },
        {
          "type": "Redundancy",
          "value": 3.05
        }
      ]
    },
    {
      "resolution_limits": [1.80,1.72],
      "number_observations": 14509,
      "number_observations_unique": 4794,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.188
        },
        {
          "type": "I/SigI",
          "value": 5.4
        },
        {
          "type": "Completeness",
          "value": 92.80
        },
        {
          "type": "Redundancy",
          "value": 3.03
        }
      ]
    },
    {
      "resolution_limits": [1.90,1.80],
      "number_observations": 14475,
      "number_observations_unique": 4806,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.15
        },
        {
          "type": "I/SigI",
          "value": 6.6
        },
        {
          "type": "Completeness",
          "value": 93.10
        },
        {
          "type": "Redundancy",
          "value": 3.01
        }
      ]
    },
    {
      "resolution_limits": [2.02,1.90],
      "number_observations": 14611,
      "number_observations_unique": 4863,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.116
        },
        {
          "type": "I/SigI",
          "value": 8.3
        },
        {
          "type": "Completeness",
          "value": 93.90
        },
        {
          "type": "Redundancy",
          "value": 3.00
        }
      ]
    },
    {
      "resolution_limits": [2.17,2.02],
      "number_observations": 15029,
      "number_observations_unique": 4990,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.101
        },
        {
          "type": "I/SigI",
          "value": 11.2
        },
        {
          "type": "Completeness",
          "value": 95.80
        },
        {
          "type": "Redundancy",
          "value": 3.01
        }
      ]
    },
    {
      "resolution_limits": [2.39,2.17],
      "number_observations": 15476,
      "number_observations_unique": 5005,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.082
        },
        {
          "type": "I/SigI",
          "value": 15.1
        },
        {
          "type": "Completeness",
          "value": 97.40
        },
        {
          "type": "Redundancy",
          "value": 3.08
        }
      ]
    },
    {
      "resolution_limits": [2.73,2.39],
      "number_observations": 16315,
      "number_observations_unique": 5131,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.062
        },
        {
          "type": "I/SigI",
          "value": 19.9
        },
        {
          "type": "Completeness",
          "value": 98.40
        },
        {
          "type": "Redundancy",
          "value": 3.16
        }
      ]
    },
    {
      "resolution_limits": [3.44,2.73],
      "number_observations": 16769,
      "number_observations_unique": 5176,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.047
        },
        {
          "type": "I/SigI",
          "value": 31.4
        },
        {
          "type": "Completeness",
          "value": 98.90
        },
        {
          "type": "Redundancy",
          "value": 3.17
        }
      ]
    },
    {
      "resolution_limits": [19.99,3.44],
      "number_observations": 17233,
      "number_observations_unique": 5237,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.034
        },
        {
          "type": "I/SigI",
          "value": 50.1
        },
        {
          "type": "Completeness",
          "value": 99.40
        },
        {
          "type": "Redundancy",
          "value": 3.18
        }
      ]
    }
  ]

}
  

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


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