Data quality metrics extracted from 3v4k.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": "474ffce6bb3767651e16eb8997838af6",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 68.19,
    "b": 72.17,
    "c": 96.81,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.03300],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [55.75,1.130],
    "number_observations_unique": 121903,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.057
      },
      {
        "type": "I/SigI",
        "value": 9.650
      },
      {
        "type": "Completeness",
        "value": 67.400
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.150,1.130],
      "number_observations": 681,
      "number_observations_unique": 397,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.371
        },
        {
          "type": "I/SigI",
          "value": 0.510
        },
        {
          "type": "Completeness",
          "value": 3.000
        }
      ]
    },
    {
      "resolution_limits": [1.190,1.150],
      "number_observations": 4428,
      "number_observations_unique": 1951,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.704
        },
        {
          "type": "I/SigI",
          "value": 0.720
        },
        {
          "type": "Completeness",
          "value": 15.100
        }
      ]
    },
    {
      "resolution_limits": [1.220,1.190],
      "number_observations": 7955,
      "number_observations_unique": 3049,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.371
        },
        {
          "type": "I/SigI",
          "value": 0.960
        },
        {
          "type": "Completeness",
          "value": 24.200
        }
      ]
    },
    {
      "resolution_limits": [1.260,1.220],
      "number_observations": 11825,
      "number_observations_unique": 4232,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.181
        },
        {
          "type": "I/SigI",
          "value": 1.120
        },
        {
          "type": "Completeness",
          "value": 34.600
        }
      ]
    },
    {
      "resolution_limits": [1.300,1.260],
      "number_observations": 16269,
      "number_observations_unique": 5622,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.948
        },
        {
          "type": "I/SigI",
          "value": 1.420
        },
        {
          "type": "Completeness",
          "value": 47.700
        }
      ]
    },
    {
      "resolution_limits": [1.350,1.300],
      "number_observations": 22537,
      "number_observations_unique": 7607,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.739
        },
        {
          "type": "I/SigI",
          "value": 1.870
        },
        {
          "type": "Completeness",
          "value": 66.200
        }
      ]
    },
    {
      "resolution_limits": [1.400,1.350],
      "number_observations": 30587,
      "number_observations_unique": 10027,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.523
        },
        {
          "type": "I/SigI",
          "value": 2.570
        },
        {
          "type": "Completeness",
          "value": 90.600
        }
      ]
    },
    {
      "resolution_limits": [1.450,1.400],
      "number_observations": 30287,
      "number_observations_unique": 9878,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.357
        },
        {
          "type": "I/SigI",
          "value": 3.750
        },
        {
          "type": "Completeness",
          "value": 92.600
        }
      ]
    },
    {
      "resolution_limits": [1.520,1.450],
      "number_observations": 29119,
      "number_observations_unique": 9510,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.246
        },
        {
          "type": "I/SigI",
          "value": 5.130
        },
        {
          "type": "Completeness",
          "value": 92.900
        }
      ]
    },
    {
      "resolution_limits": [1.590,1.520],
      "number_observations": 27977,
      "number_observations_unique": 9177,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.166
        },
        {
          "type": "I/SigI",
          "value": 7.080
        },
        {
          "type": "Completeness",
          "value": 93.500
        }
      ]
    },
    {
      "resolution_limits": [1.680,1.590],
      "number_observations": 26641,
      "number_observations_unique": 8778,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.126
        },
        {
          "type": "I/SigI",
          "value": 8.800
        },
        {
          "type": "Completeness",
          "value": 94.200
        }
      ]
    },
    {
      "resolution_limits": [1.780,1.680],
      "number_observations": 25269,
      "number_observations_unique": 8343,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.085
        },
        {
          "type": "I/SigI",
          "value": 12.040
        },
        {
          "type": "Completeness",
          "value": 94.300
        }
      ]
    },
    {
      "resolution_limits": [1.900,1.780],
      "number_observations": 23881,
      "number_observations_unique": 7910,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.060
        },
        {
          "type": "I/SigI",
          "value": 15.770
        },
        {
          "type": "Completeness",
          "value": 94.800
        }
      ]
    },
    {
      "resolution_limits": [2.050,1.900],
      "number_observations": 22215,
      "number_observations_unique": 7375,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.048
        },
        {
          "type": "I/SigI",
          "value": 19.460
        },
        {
          "type": "Completeness",
          "value": 95.300
        }
      ]
    },
    {
      "resolution_limits": [2.250,2.050],
      "number_observations": 20588,
      "number_observations_unique": 6829,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.041
        },
        {
          "type": "I/SigI",
          "value": 22.200
        },
        {
          "type": "Completeness",
          "value": 95.000
        }
      ]
    },
    {
      "resolution_limits": [2.520,2.250],
      "number_observations": 18750,
      "number_observations_unique": 6199,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.037
        },
        {
          "type": "I/SigI",
          "value": 24.860
        },
        {
          "type": "Completeness",
          "value": 95.300
        }
      ]
    },
    {
      "resolution_limits": [2.910,2.520],
      "number_observations": 16603,
      "number_observations_unique": 5471,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.032
        },
        {
          "type": "I/SigI",
          "value": 27.900
        },
        {
          "type": "Completeness",
          "value": 94.700
        }
      ]
    },
    {
      "resolution_limits": [3.560,2.910],
      "number_observations": 13919,
      "number_observations_unique": 4586,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.029
        },
        {
          "type": "I/SigI",
          "value": 29.120
        },
        {
          "type": "Completeness",
          "value": 93.000
        }
      ]
    },
    {
      "resolution_limits": [5.030,3.560],
      "number_observations": 9899,
      "number_observations_unique": 3352,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.033
        },
        {
          "type": "I/SigI",
          "value": 28.630
        },
        {
          "type": "Completeness",
          "value": 86.700
        }
      ]
    },
    {
      "resolution_limits": [55.75,5.030],
      "number_observations": 4589,
      "number_observations_unique": 1610,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 71.600
        }
      ]
    }
  ]

}
  

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


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