Data quality metrics extracted from 2ord.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": "d7b42b02cc958c91e20385555ac415ee",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 90.948,
    "b": 95.628,
    "c": 96.089,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.91837,0.97937,0.97876],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [42.796,1.400],
    "number_observations_unique": 137451,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.067
      },
      {
        "type": "I/SigI",
        "value": 10.890
      },
      {
        "type": "Completeness",
        "value": 82.300
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.45,1.40],
      "number_observations": 12656,
      "number_observations_unique": 5461,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.454
        },
        {
          "type": "I/SigI",
          "value": 2.1
        },
        {
          "type": "Completeness",
          "value": 33.50
        }
      ]
    },
    {
      "resolution_limits": [1.51,1.45],
      "number_observations": 21624,
      "number_observations_unique": 8436,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.413
        },
        {
          "type": "I/SigI",
          "value": 2.5
        },
        {
          "type": "Completeness",
          "value": 50.10
        }
      ]
    },
    {
      "resolution_limits": [1.58,1.51],
      "number_observations": 29980,
      "number_observations_unique": 10903,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.368
        },
        {
          "type": "I/SigI",
          "value": 2.9
        },
        {
          "type": "Completeness",
          "value": 65.90
        }
      ]
    },
    {
      "resolution_limits": [1.66,1.58],
      "number_observations": 42449,
      "number_observations_unique": 14131,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.33
        },
        {
          "type": "I/SigI",
          "value": 3.6
        },
        {
          "type": "Completeness",
          "value": 90.20
        }
      ]
    },
    {
      "resolution_limits": [1.76,1.66],
      "number_observations": 47846,
      "number_observations_unique": 15278,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.27
        },
        {
          "type": "I/SigI",
          "value": 4.5
        },
        {
          "type": "Completeness",
          "value": 96.50
        }
      ]
    },
    {
      "resolution_limits": [1.90,1.76],
      "number_observations": 51314,
      "number_observations_unique": 16426,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.19
        },
        {
          "type": "I/SigI",
          "value": 6.2
        },
        {
          "type": "Completeness",
          "value": 97.10
        }
      ]
    },
    {
      "resolution_limits": [2.09,1.90],
      "number_observations": 49878,
      "number_observations_unique": 15980,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.114
        },
        {
          "type": "I/SigI",
          "value": 9.9
        },
        {
          "type": "Completeness",
          "value": 97.50
        }
      ]
    },
    {
      "resolution_limits": [2.39,2.09],
      "number_observations": 50203,
      "number_observations_unique": 16121,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.07
        },
        {
          "type": "I/SigI",
          "value": 14.8
        },
        {
          "type": "Completeness",
          "value": 98.00
        }
      ]
    },
    {
      "resolution_limits": [42.796,2.39],
      "number_observations": 50880,
      "number_observations_unique": 16388,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.048
        },
        {
          "type": "I/SigI",
          "value": 19.8
        },
        {
          "type": "Completeness",
          "value": 98.10
        }
      ]
    }
  ]

}
  

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


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