Data quality metrics extracted from 3c1l.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": "5c72f2c94ac0e80279a013d7eb91d22b",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 65.69,
    "b": 68.06,
    "c": 266.83,
    "alpha": 90.00,
    "beta": 95.94,
    "gamma": 90.00
  },
  "wavelengths": [0.91837,0.97942],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [29.814,2.00],
    "number_observations_unique": 138837,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.058
      },
      {
        "type": "I/SigI",
        "value": 7.380
      },
      {
        "type": "Completeness",
        "value": 84.600
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.07,2.00],
      "number_observations": 5368,
      "number_observations_unique": 12737,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.354
        },
        {
          "type": "I/SigI",
          "value": 1.6
        },
        {
          "type": "Completeness",
          "value": 41.90
        }
      ]
    },
    {
      "resolution_limits": [2.15,2.07],
      "number_observations": 7970,
      "number_observations_unique": 16660,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.304
        },
        {
          "type": "I/SigI",
          "value": 1.9
        },
        {
          "type": "Completeness",
          "value": 55.30
        }
      ]
    },
    {
      "resolution_limits": [2.25,2.15],
      "number_observations": 13005,
      "number_observations_unique": 24091,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.230
        },
        {
          "type": "I/SigI",
          "value": 2.5
        },
        {
          "type": "Completeness",
          "value": 75.40
        }
      ]
    },
    {
      "resolution_limits": [2.37,2.25],
      "number_observations": 20920,
      "number_observations_unique": 29732,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.186
        },
        {
          "type": "I/SigI",
          "value": 3.3
        },
        {
          "type": "Completeness",
          "value": 94.60
        }
      ]
    },
    {
      "resolution_limits": [2.52,2.37],
      "number_observations": 22565,
      "number_observations_unique": 30167,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.145
        },
        {
          "type": "I/SigI",
          "value": 4.2
        },
        {
          "type": "Completeness",
          "value": 95.90
        }
      ]
    },
    {
      "resolution_limits": [2.71,2.52],
      "number_observations": 22541,
      "number_observations_unique": 29400,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.117
        },
        {
          "type": "I/SigI",
          "value": 5.2
        },
        {
          "type": "Completeness",
          "value": 96.70
        }
      ]
    },
    {
      "resolution_limits": [2.99,2.71],
      "number_observations": 23833,
      "number_observations_unique": 30736,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.085
        },
        {
          "type": "I/SigI",
          "value": 6.9
        },
        {
          "type": "Completeness",
          "value": 96.40
        }
      ]
    },
    {
      "resolution_limits": [3.42,2.99],
      "number_observations": 23314,
      "number_observations_unique": 29912,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.055
        },
        {
          "type": "I/SigI",
          "value": 10.3
        },
        {
          "type": "Completeness",
          "value": 97.00
        }
      ]
    },
    {
      "resolution_limits": [4.30,3.42],
      "number_observations": 23186,
      "number_observations_unique": 29921,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.037
        },
        {
          "type": "I/SigI",
          "value": 14.6
        },
        {
          "type": "Completeness",
          "value": 96.80
        }
      ]
    },
    {
      "resolution_limits": [29.814,4.30],
      "number_observations": 23505,
      "number_observations_unique": 29561,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.028
        },
        {
          "type": "I/SigI",
          "value": 16.7
        },
        {
          "type": "Completeness",
          "value": 94.60
        }
      ]
    }
  ]

}
  

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


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