Data quality metrics extracted from 4ds7.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": "57d2150ff286ed6ac72d6bec0c1159f6",
  "space_group_name": "P 21 21 2",
  "unit_cell": {
    "a": 114.670,
    "b": 145.444,
    "c": 49.837,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97153],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [30.000,2.150],
    "number_observations_unique": 47075,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.070
      },
      {
        "type": "I/SigI",
        "value": 31.184
      },
      {
        "type": "Completeness",
        "value": 99.900
      },
      {
        "type": "Redundancy",
        "value": 15.900
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.190,2.150],
      "number_observations_unique": 2321,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 3.876
        },
        {
          "type": "Completeness",
          "value": 99.500
        },
        {
          "type": "Redundancy",
          "value": 11.700
        }
      ]
    },
    {
      "resolution_limits": [2.230,2.190],
      "number_observations_unique": 2293,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 4.937
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 13.200
        }
      ]
    },
    {
      "resolution_limits": [2.270,2.230],
      "number_observations_unique": 2341,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 6.345
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 14.200
        }
      ]
    },
    {
      "resolution_limits": [2.320,2.270],
      "number_observations_unique": 2283,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 7.735
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 15.500
        }
      ]
    },
    {
      "resolution_limits": [2.370,2.320],
      "number_observations_unique": 2353,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 8.881
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 15.700
        }
      ]
    },
    {
      "resolution_limits": [2.420,2.370],
      "number_observations_unique": 2308,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 10.080
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 15.900
        }
      ]
    },
    {
      "resolution_limits": [2.480,2.420],
      "number_observations_unique": 2322,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 11.195
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 16.000
        }
      ]
    },
    {
      "resolution_limits": [2.550,2.480],
      "number_observations_unique": 2333,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 13.046
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 16.200
        }
      ]
    },
    {
      "resolution_limits": [2.620,2.550],
      "number_observations_unique": 2349,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 16.053
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 16.300
        }
      ]
    },
    {
      "resolution_limits": [2.710,2.620],
      "number_observations_unique": 2298,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 19.361
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 16.500
        }
      ]
    },
    {
      "resolution_limits": [2.810,2.710],
      "number_observations_unique": 2355,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 21.462
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 16.600
        }
      ]
    },
    {
      "resolution_limits": [2.920,2.810],
      "number_observations_unique": 2356,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 24.764
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 16.700
        }
      ]
    },
    {
      "resolution_limits": [3.050,2.920],
      "number_observations_unique": 2326,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 31.365
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 16.900
        }
      ]
    },
    {
      "resolution_limits": [3.210,3.050],
      "number_observations_unique": 2352,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 38.651
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 17.000
        }
      ]
    },
    {
      "resolution_limits": [3.410,3.210],
      "number_observations_unique": 2366,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 46.983
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 17.200
        }
      ]
    },
    {
      "resolution_limits": [3.670,3.410],
      "number_observations_unique": 2362,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 57.730
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 17.300
        }
      ]
    },
    {
      "resolution_limits": [4.040,3.670],
      "number_observations_unique": 2385,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 69.487
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 17.200
        }
      ]
    },
    {
      "resolution_limits": [4.630,4.040],
      "number_observations_unique": 2408,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 77.814
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 16.700
        }
      ]
    },
    {
      "resolution_limits": [5.820,4.630],
      "number_observations_unique": 2418,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 73.035
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 16.100
        }
      ]
    },
    {
      "resolution_limits": [30.000,5.820],
      "number_observations_unique": 2546,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 80.894
        },
        {
          "type": "Completeness",
          "value": 98.600
        },
        {
          "type": "Redundancy",
          "value": 15.700
        }
      ]
    }
  ]

}
  

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


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