Data quality metrics extracted from 9sad.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.3",
  "uuid": "f6695f2082699ec02604ff878a54019c",
  "space_group_name": "P 32 2 1",
  "unit_cell": {
    "a": 70.53,
    "b": 70.53,
    "c": 153.72,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [1.28282],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.82,2.0],
    "number_observations_unique": 57815,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.305
      },
      {
        "type": "R(meas)",
        "value": 0.32
      },
      {
        "type": "I/SigI",
        "value": 6.26
      },
      {
        "type": "Completeness",
        "value": 100.0
      },
      {
        "type": "Redundancy",
        "value": 10.5
      },
      {
        "type": "CC(1/2)",
        "value": 0.994
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.05,2.00],
      "number_observations_unique": 4272,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.929
        },
        {
          "type": "R(meas)",
          "value": 3.076
        },
        {
          "type": "CC(1/2)",
          "value": 0.221
        }
      ]
    },
    {
      "resolution_limits": [2.11,2.05],
      "number_observations_unique": 4206,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.375
        },
        {
          "type": "R(meas)",
          "value": 2.495
        },
        {
          "type": "CC(1/2)",
          "value": 0.347
        }
      ]
    },
    {
      "resolution_limits": [2.17,2.11],
      "number_observations_unique": 4065,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.989
        },
        {
          "type": "R(meas)",
          "value": 2.09
        },
        {
          "type": "CC(1/2)",
          "value": 0.424
        }
      ]
    },
    {
      "resolution_limits": [2.24,2.17],
      "number_observations_unique": 3909,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.705
        },
        {
          "type": "R(meas)",
          "value": 1.792
        },
        {
          "type": "CC(1/2)",
          "value": 0.483
        }
      ]
    },
    {
      "resolution_limits": [2.31,2.24],
      "number_observations_unique": 3852,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.34
        },
        {
          "type": "R(meas)",
          "value": 1.409
        },
        {
          "type": "CC(1/2)",
          "value": 0.612
        }
      ]
    },
    {
      "resolution_limits": [2.39,2.31],
      "number_observations_unique": 3646,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.194
        },
        {
          "type": "R(meas)",
          "value": 1.257
        },
        {
          "type": "CC(1/2)",
          "value": 0.682
        }
      ]
    },
    {
      "resolution_limits": [2.48,2.39],
      "number_observations_unique": 3574,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.015
        },
        {
          "type": "R(meas)",
          "value": 1.071
        },
        {
          "type": "CC(1/2)",
          "value": 0.734
        }
      ]
    },
    {
      "resolution_limits": [2.58,2.48],
      "number_observations_unique": 3424,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.852
        },
        {
          "type": "R(meas)",
          "value": 0.896
        },
        {
          "type": "CC(1/2)",
          "value": 0.847
        }
      ]
    },
    {
      "resolution_limits": [2.7,2.58],
      "number_observations_unique": 3288,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.69
        },
        {
          "type": "R(meas)",
          "value": 0.726
        },
        {
          "type": "CC(1/2)",
          "value": 0.902
        }
      ]
    },
    {
      "resolution_limits": [2.83,2.70],
      "number_observations_unique": 3172,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.527
        },
        {
          "type": "R(meas)",
          "value": 0.555
        },
        {
          "type": "CC(1/2)",
          "value": 0.93
        }
      ]
    },
    {
      "resolution_limits": [2.98,2.83],
      "number_observations_unique": 2952,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.423
        },
        {
          "type": "R(meas)",
          "value": 0.444
        },
        {
          "type": "CC(1/2)",
          "value": 0.967
        }
      ]
    },
    {
      "resolution_limits": [3.16,2.98],
      "number_observations_unique": 2830,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.311
        },
        {
          "type": "R(meas)",
          "value": 0.327
        },
        {
          "type": "CC(1/2)",
          "value": 0.978
        }
      ]
    },
    {
      "resolution_limits": [3.38,3.16],
      "number_observations_unique": 2686,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.224
        },
        {
          "type": "R(meas)",
          "value": 0.235
        },
        {
          "type": "CC(1/2)",
          "value": 0.989
        }
      ]
    },
    {
      "resolution_limits": [3.65,3.38],
      "number_observations_unique": 2433,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.159
        },
        {
          "type": "R(meas)",
          "value": 0.167
        },
        {
          "type": "CC(1/2)",
          "value": 0.993
        }
      ]
    },
    {
      "resolution_limits": [4.0,3.65],
      "number_observations_unique": 2251,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.136
        },
        {
          "type": "R(meas)",
          "value": 0.143
        },
        {
          "type": "CC(1/2)",
          "value": 0.994
        }
      ]
    },
    {
      "resolution_limits": [4.47,4.00],
      "number_observations_unique": 2097,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.105
        },
        {
          "type": "R(meas)",
          "value": 0.111
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    },
    {
      "resolution_limits": [5.16,4.47],
      "number_observations_unique": 1790,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.101
        },
        {
          "type": "R(meas)",
          "value": 0.107
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [6.32,5.16],
      "number_observations_unique": 1547,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.1
        },
        {
          "type": "R(meas)",
          "value": 0.105
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    },
    {
      "resolution_limits": [8.94,6.32],
      "number_observations_unique": 1188,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.078
        },
        {
          "type": "R(meas)",
          "value": 0.082
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [47.82,8.94],
      "number_observations_unique": 633,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.056
        },
        {
          "type": "R(meas)",
          "value": 0.059
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    }
  ]

}
  

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


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