Data quality metrics extracted from 3clm.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": "b91d56c34aab1e8819446211e29f7771",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 42.14,
    "b": 83.03,
    "c": 89.79,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97916,0.97953,0.91840,0.97939],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [29.579,1.14],
    "number_observations_unique": 107548,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.043
      },
      {
        "type": "I/SigI",
        "value": 10.680
      },
      {
        "type": "Completeness",
        "value": 90.400
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.18,1.14],
      "number_observations": 4872,
      "number_observations_unique": 9600,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.326
        },
        {
          "type": "I/SigI",
          "value": 2.3
        },
        {
          "type": "Completeness",
          "value": 44.00
        }
      ]
    },
    {
      "resolution_limits": [1.23,1.18],
      "number_observations": 12436,
      "number_observations_unique": 16709,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.261
        },
        {
          "type": "I/SigI",
          "value": 2.7
        },
        {
          "type": "Completeness",
          "value": 71.20
        }
      ]
    },
    {
      "resolution_limits": [1.28,1.23],
      "number_observations": 22269,
      "number_observations_unique": 18469,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.224
        },
        {
          "type": "I/SigI",
          "value": 3.5
        },
        {
          "type": "Completeness",
          "value": 92.60
        }
      ]
    },
    {
      "resolution_limits": [1.35,1.28],
      "number_observations": 40394,
      "number_observations_unique": 23053,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.197
        },
        {
          "type": "I/SigI",
          "value": 4.5
        },
        {
          "type": "Completeness",
          "value": 99.70
        }
      ]
    },
    {
      "resolution_limits": [1.44,1.35],
      "number_observations": 41919,
      "number_observations_unique": 23469,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.153
        },
        {
          "type": "I/SigI",
          "value": 5.6
        },
        {
          "type": "Completeness",
          "value": 99.60
        }
      ]
    },
    {
      "resolution_limits": [1.55,1.44],
      "number_observations": 39452,
      "number_observations_unique": 21760,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.105
        },
        {
          "type": "I/SigI",
          "value": 7.8
        },
        {
          "type": "Completeness",
          "value": 99.60
        }
      ]
    },
    {
      "resolution_limits": [1.70,1.55],
      "number_observations": 39334,
      "number_observations_unique": 21287,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.075
        },
        {
          "type": "I/SigI",
          "value": 10.2
        },
        {
          "type": "Completeness",
          "value": 99.60
        }
      ]
    },
    {
      "resolution_limits": [1.95,1.70],
      "number_observations": 42257,
      "number_observations_unique": 22445,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.050
        },
        {
          "type": "I/SigI",
          "value": 14.3
        },
        {
          "type": "Completeness",
          "value": 99.30
        }
      ]
    },
    {
      "resolution_limits": [2.45,1.95],
      "number_observations": 42098,
      "number_observations_unique": 21853,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.032
        },
        {
          "type": "I/SigI",
          "value": 21.0
        },
        {
          "type": "Completeness",
          "value": 99.30
        }
      ]
    },
    {
      "resolution_limits": [29.579,2.45],
      "number_observations": 44050,
      "number_observations_unique": 22145,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.024
        },
        {
          "type": "I/SigI",
          "value": 27.5
        },
        {
          "type": "Completeness",
          "value": 98.80
        }
      ]
    }
  ]

}
  

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


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