Data quality metrics extracted from 4x43.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": "4cd9d767b86f360a35e693062f1d5f83",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 34.67,
    "b": 48.57,
    "c": 89.94,
    "alpha": 90.00,
    "beta": 101.01,
    "gamma": 90.00
  },
  "wavelengths": [0.97941],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [44.1,1.650],
    "number_observations": 437002,
    "number_observations_unique": 35498,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.139
      },
      {
        "type": "R(meas)",
        "value": 0.145
      },
      {
        "type": "I/SigI",
        "value": 14.040
      },
      {
        "type": "Completeness",
        "value": 99.900
      },
      {
        "type": "Redundancy",
        "value": 12.3
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.690,1.650],
      "number_observations": 30727,
      "number_observations_unique": 2577,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.031
        },
        {
          "type": "R(meas)",
          "value": 2.120
        },
        {
          "type": "I/SigI",
          "value": 1.140
        },
        {
          "type": "Completeness",
          "value": 99.600
        }
      ]
    },
    {
      "resolution_limits": [1.740,1.690],
      "number_observations": 30993,
      "number_observations_unique": 2572,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.736
        },
        {
          "type": "R(meas)",
          "value": 1.811
        },
        {
          "type": "I/SigI",
          "value": 1.360
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [1.790,1.740],
      "number_observations": 30010,
      "number_observations_unique": 2448,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.416
        },
        {
          "type": "R(meas)",
          "value": 1.476
        },
        {
          "type": "I/SigI",
          "value": 1.730
        },
        {
          "type": "Completeness",
          "value": 100.00
        }
      ]
    },
    {
      "resolution_limits": [1.840,1.790],
      "number_observations": 29445,
      "number_observations_unique": 2402,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.149
        },
        {
          "type": "R(meas)",
          "value": 1.199
        },
        {
          "type": "I/SigI",
          "value": 2.180
        },
        {
          "type": "Completeness",
          "value": 99.700
        }
      ]
    },
    {
      "resolution_limits": [1.910,1.840],
      "number_observations": 28445,
      "number_observations_unique": 2316,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.915
        },
        {
          "type": "R(meas)",
          "value": 0.954
        },
        {
          "type": "I/SigI",
          "value": 2.820
        },
        {
          "type": "Completeness",
          "value": 100.00
        }
      ]
    },
    {
      "resolution_limits": [1.970,1.910],
      "number_observations": 26038,
      "number_observations_unique": 2261,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.677
        },
        {
          "type": "R(meas)",
          "value": 0.708
        },
        {
          "type": "I/SigI",
          "value": 3.730
        },
        {
          "type": "Completeness",
          "value": 99.700
        }
      ]
    },
    {
      "resolution_limits": [2.050,1.970],
      "number_observations": 26753,
      "number_observations_unique": 2219,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.532
        },
        {
          "type": "R(meas)",
          "value": 0.556
        },
        {
          "type": "I/SigI",
          "value": 4.930
        },
        {
          "type": "Completeness",
          "value": 100.00
        }
      ]
    },
    {
      "resolution_limits": [2.130,2.050],
      "number_observations": 27447,
      "number_observations_unique": 2094,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.443
        },
        {
          "type": "R(meas)",
          "value": 0.461
        },
        {
          "type": "I/SigI",
          "value": 6.300
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [2.220,2.130],
      "number_observations": 26040,
      "number_observations_unique": 2000,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.330
        },
        {
          "type": "R(meas)",
          "value": 0.344
        },
        {
          "type": "I/SigI",
          "value": 8.280
        },
        {
          "type": "Completeness",
          "value": 99.800
        }
      ]
    },
    {
      "resolution_limits": [2.330,2.220],
      "number_observations": 24772,
      "number_observations_unique": 1921,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.258
        },
        {
          "type": "R(meas)",
          "value": 0.268
        },
        {
          "type": "I/SigI",
          "value": 10.540
        },
        {
          "type": "Completeness",
          "value": 100.00
        }
      ]
    },
    {
      "resolution_limits": [2.460,2.330],
      "number_observations": 23520,
      "number_observations_unique": 1838,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.212
        },
        {
          "type": "R(meas)",
          "value": 0.220
        },
        {
          "type": "I/SigI",
          "value": 12.460
        },
        {
          "type": "Completeness",
          "value": 100.00
        }
      ]
    },
    {
      "resolution_limits": [2.610,2.460],
      "number_observations": 21393,
      "number_observations_unique": 1728,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.170
        },
        {
          "type": "R(meas)",
          "value": 0.178
        },
        {
          "type": "I/SigI",
          "value": 15.170
        },
        {
          "type": "Completeness",
          "value": 99.800
        }
      ]
    },
    {
      "resolution_limits": [2.790,2.610],
      "number_observations": 18609,
      "number_observations_unique": 1625,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.138
        },
        {
          "type": "R(meas)",
          "value": 0.144
        },
        {
          "type": "I/SigI",
          "value": 17.750
        },
        {
          "type": "Completeness",
          "value": 100.00
        }
      ]
    },
    {
      "resolution_limits": [3.010,2.790],
      "number_observations": 18879,
      "number_observations_unique": 1552,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.101
        },
        {
          "type": "R(meas)",
          "value": 0.105
        },
        {
          "type": "I/SigI",
          "value": 24.270
        },
        {
          "type": "Completeness",
          "value": 99.900
        }
      ]
    },
    {
      "resolution_limits": [3.300,3.010],
      "number_observations": 18277,
      "number_observations_unique": 1398,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.073
        },
        {
          "type": "R(meas)",
          "value": 0.076
        },
        {
          "type": "I/SigI",
          "value": 33.760
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [3.690,3.300],
      "number_observations": 16193,
      "number_observations_unique": 1268,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.056
        },
        {
          "type": "R(meas)",
          "value": 0.058
        },
        {
          "type": "I/SigI",
          "value": 43.630
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [4.260,3.690],
      "number_observations": 14382,
      "number_observations_unique": 1161,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.042
        },
        {
          "type": "R(meas)",
          "value": 0.044
        },
        {
          "type": "I/SigI",
          "value": 52.910
        },
        {
          "type": "Completeness",
          "value": 100.00
        }
      ]
    },
    {
      "resolution_limits": [5.220,4.260],
      "number_observations": 10583,
      "number_observations_unique": 937,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.036
        },
        {
          "type": "R(meas)",
          "value": 0.037
        },
        {
          "type": "I/SigI",
          "value": 56.580
        },
        {
          "type": "Completeness",
          "value": 99.700
        }
      ]
    },
    {
      "resolution_limits": [7.380,5.220],
      "number_observations": 9225,
      "number_observations_unique": 755,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.040
        },
        {
          "type": "R(meas)",
          "value": 0.042
        },
        {
          "type": "I/SigI",
          "value": 54.360
        },
        {
          "type": "Completeness",
          "value": 99.900
        }
      ]
    },
    {
      "resolution_limits": [44.1,7.380],
      "number_observations": 5271,
      "number_observations_unique": 427,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.026
        },
        {
          "type": "R(meas)",
          "value": 0.027
        },
        {
          "type": "I/SigI",
          "value": 77.570
        },
        {
          "type": "Completeness",
          "value": 99.300
        }
      ]
    }
  ]

}
  

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


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