Data quality metrics extracted from 4l7a.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": "b612b64728851d8851ed198706dc22d5",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 39.096,
    "b": 116.117,
    "c": 135.823,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97928],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [29.590,2.09],
    "number_observations_unique": 37077,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.187
      },
      {
        "type": "I/SigI",
        "value": 7.570
      },
      {
        "type": "Completeness",
        "value": 98.300
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.16,2.0946],
      "number_observations": 40806,
      "number_observations_unique": 5678,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.07
        },
        {
          "type": "I/SigI",
          "value": 2.0
        },
        {
          "type": "Completeness",
          "value": 84.900
        }
      ]
    },
    {
      "resolution_limits": [2.25,2.16],
      "number_observations": 56129,
      "number_observations_unique": 7298,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.849
        },
        {
          "type": "I/SigI",
          "value": 2.6
        },
        {
          "type": "Completeness",
          "value": 99.500
        }
      ]
    },
    {
      "resolution_limits": [2.35,2.25],
      "number_observations": 53355,
      "number_observations_unique": 6928,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.708
        },
        {
          "type": "I/SigI",
          "value": 3.1
        },
        {
          "type": "Completeness",
          "value": 99.600
        }
      ]
    },
    {
      "resolution_limits": [2.48,2.35],
      "number_observations": 57363,
      "number_observations_unique": 7421,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.524
        },
        {
          "type": "I/SigI",
          "value": 4.0
        },
        {
          "type": "Completeness",
          "value": 99.800
        }
      ]
    },
    {
      "resolution_limits": [2.63,2.48],
      "number_observations": 52738,
      "number_observations_unique": 6826,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.418
        },
        {
          "type": "I/SigI",
          "value": 4.9
        },
        {
          "type": "Completeness",
          "value": 99.800
        }
      ]
    },
    {
      "resolution_limits": [2.83,2.63],
      "number_observations": 54156,
      "number_observations_unique": 7017,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.309
        },
        {
          "type": "I/SigI",
          "value": 6.3
        },
        {
          "type": "Completeness",
          "value": 99.800
        }
      ]
    },
    {
      "resolution_limits": [3.12,2.83],
      "number_observations": 55223,
      "number_observations_unique": 7185,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.207
        },
        {
          "type": "I/SigI",
          "value": 8.7
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [3.57,3.12],
      "number_observations": 53821,
      "number_observations_unique": 7104,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.138
        },
        {
          "type": "I/SigI",
          "value": 12.0
        },
        {
          "type": "Completeness",
          "value": 99.800
        }
      ]
    },
    {
      "resolution_limits": [4.49,3.57],
      "number_observations": 52657,
      "number_observations_unique": 7028,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.0103
        },
        {
          "type": "I/SigI",
          "value": 15.0
        },
        {
          "type": "Completeness",
          "value": 99.800
        }
      ]
    },
    {
      "resolution_limits": [29.59,4.49],
      "number_observations": 53824,
      "number_observations_unique": 7125,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.083
        },
        {
          "type": "I/SigI",
          "value": 16.0
        },
        {
          "type": "Completeness",
          "value": 99.400
        }
      ]
    }
  ]

}
  

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


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