Data quality metrics extracted from 2it0.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": "85869e98cac5dd0e131e22e515eccc7a",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 54.009,
    "b": 70.363,
    "c": 79.569,
    "alpha": 108.95,
    "beta": 103.08,
    "gamma": 94.84
  },
  "wavelengths": [1.12170],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [72.481,2.600],
    "number_observations_unique": 31514,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.126
      },
      {
        "type": "I/SigI",
        "value": 3.800
      },
      {
        "type": "Completeness",
        "value": 96.300
      },
      {
        "type": "Redundancy",
        "value": 1.900
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.74,2.60],
      "number_observations": 8746,
      "number_observations_unique": 4585,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.348
        },
        {
          "type": "I/SigI",
          "value": 2.0
        },
        {
          "type": "Completeness",
          "value": 95.90
        },
        {
          "type": "Redundancy",
          "value": 1.90
        }
      ]
    },
    {
      "resolution_limits": [2.91,2.74],
      "number_observations": 8272,
      "number_observations_unique": 4345,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.263
        },
        {
          "type": "I/SigI",
          "value": 2.8
        },
        {
          "type": "Completeness",
          "value": 96.00
        },
        {
          "type": "Redundancy",
          "value": 1.90
        }
      ]
    },
    {
      "resolution_limits": [3.11,2.91],
      "number_observations": 7788,
      "number_observations_unique": 4093,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.207
        },
        {
          "type": "I/SigI",
          "value": 3.5
        },
        {
          "type": "Completeness",
          "value": 96.30
        },
        {
          "type": "Redundancy",
          "value": 1.90
        }
      ]
    },
    {
      "resolution_limits": [3.36,3.11],
      "number_observations": 7229,
      "number_observations_unique": 3821,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.108
        },
        {
          "type": "I/SigI",
          "value": 6.8
        },
        {
          "type": "Completeness",
          "value": 96.50
        },
        {
          "type": "Redundancy",
          "value": 1.90
        }
      ]
    },
    {
      "resolution_limits": [3.68,3.36],
      "number_observations": 6543,
      "number_observations_unique": 3493,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.087
        },
        {
          "type": "I/SigI",
          "value": 7.9
        },
        {
          "type": "Completeness",
          "value": 96.50
        },
        {
          "type": "Redundancy",
          "value": 1.90
        }
      ]
    },
    {
      "resolution_limits": [4.11,3.68],
      "number_observations": 5990,
      "number_observations_unique": 3188,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.063
        },
        {
          "type": "I/SigI",
          "value": 11.1
        },
        {
          "type": "Completeness",
          "value": 96.10
        },
        {
          "type": "Redundancy",
          "value": 1.90
        }
      ]
    },
    {
      "resolution_limits": [4.75,4.11],
      "number_observations": 5062,
      "number_observations_unique": 2786,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.082
        },
        {
          "type": "I/SigI",
          "value": 7.9
        },
        {
          "type": "Completeness",
          "value": 96.20
        },
        {
          "type": "Redundancy",
          "value": 1.80
        }
      ]
    },
    {
      "resolution_limits": [5.81,4.75],
      "number_observations": 3862,
      "number_observations_unique": 2346,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.151
        },
        {
          "type": "I/SigI",
          "value": 2.2
        },
        {
          "type": "Completeness",
          "value": 96.00
        },
        {
          "type": "Redundancy",
          "value": 1.60
        }
      ]
    },
    {
      "resolution_limits": [8.22,5.81],
      "number_observations": 3635,
      "number_observations_unique": 1850,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.055
        },
        {
          "type": "I/SigI",
          "value": 13.2
        },
        {
          "type": "Completeness",
          "value": 98.10
        },
        {
          "type": "Redundancy",
          "value": 2.00
        }
      ]
    },
    {
      "resolution_limits": [37.91,8.22],
      "number_observations": 1960,
      "number_observations_unique": 1007,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.053
        },
        {
          "type": "I/SigI",
          "value": 10.3
        },
        {
          "type": "Completeness",
          "value": 97.20
        },
        {
          "type": "Redundancy",
          "value": 1.90
        }
      ]
    }
  ]

}
  

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


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