Data quality metrics extracted from 5bti.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": "1c289c20c4675c662bfa4b132de0d1c6",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 108.390,
    "b": 83.280,
    "c": 129.701,
    "alpha": 90.00,
    "beta": 108.73,
    "gamma": 90.00
  },
  "wavelengths": [0.97900],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [49.43,2.501],
    "number_observations": 253592,
    "number_observations_unique": 253631,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1072
      },
      {
        "type": "R(meas)",
        "value": 0.130
      },
      {
        "type": "I/SigI",
        "value": 8.92
      },
      {
        "type": "Completeness",
        "value": 98.14
      },
      {
        "type": "Redundancy",
        "value": 3.4
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.591,2.501],
      "number_observations": 17944,
      "number_observations_unique": 10055,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.732
        },
        {
          "type": "R(meas)",
          "value": 1.226
        },
        {
          "type": "I/SigI",
          "value": 1.35
        },
        {
          "type": "Completeness",
          "value": 97.27
        }
      ]
    },
    {
      "resolution_limits": [2.640,2.570],
      "number_observations": 18622,
      "number_observations_unique": 10355,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.565
        },
        {
          "type": "R(meas)",
          "value": 1.007
        },
        {
          "type": "I/SigI",
          "value": 1.250
        },
        {
          "type": "Completeness",
          "value": 96.400
        }
      ]
    },
    {
      "resolution_limits": [2.710,2.640],
      "number_observations": 17887,
      "number_observations_unique": 10093,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.484
        },
        {
          "type": "R(meas)",
          "value": 0.780
        },
        {
          "type": "I/SigI",
          "value": 1.560
        },
        {
          "type": "Completeness",
          "value": 96.800
        }
      ]
    },
    {
      "resolution_limits": [2.800,2.710],
      "number_observations": 16254,
      "number_observations_unique": 9558,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.347
        },
        {
          "type": "R(meas)",
          "value": 0.667
        },
        {
          "type": "I/SigI",
          "value": 1.770
        },
        {
          "type": "Completeness",
          "value": 94.500
        }
      ]
    },
    {
      "resolution_limits": [2.890,2.800],
      "number_observations": 16129,
      "number_observations_unique": 9253,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.274
        },
        {
          "type": "R(meas)",
          "value": 0.479
        },
        {
          "type": "I/SigI",
          "value": 2.310
        },
        {
          "type": "Completeness",
          "value": 94.700
        }
      ]
    },
    {
      "resolution_limits": [2.990,2.890],
      "number_observations": 17009,
      "number_observations_unique": 9185,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.223
        },
        {
          "type": "R(meas)",
          "value": 0.379
        },
        {
          "type": "I/SigI",
          "value": 2.870
        },
        {
          "type": "Completeness",
          "value": 97.100
        }
      ]
    },
    {
      "resolution_limits": [3.100,2.990],
      "number_observations": 16520,
      "number_observations_unique": 8934,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.171
        },
        {
          "type": "R(meas)",
          "value": 0.308
        },
        {
          "type": "I/SigI",
          "value": 3.560
        },
        {
          "type": "Completeness",
          "value": 96.700
        }
      ]
    },
    {
      "resolution_limits": [3.230,3.100],
      "number_observations": 15453,
      "number_observations_unique": 8442,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.139
        },
        {
          "type": "R(meas)",
          "value": 0.236
        },
        {
          "type": "I/SigI",
          "value": 4.440
        },
        {
          "type": "Completeness",
          "value": 96.800
        }
      ]
    },
    {
      "resolution_limits": [3.370,3.230],
      "number_observations": 14770,
      "number_observations_unique": 8161,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.107
        },
        {
          "type": "R(meas)",
          "value": 0.191
        },
        {
          "type": "I/SigI",
          "value": 5.620
        },
        {
          "type": "Completeness",
          "value": 96.700
        }
      ]
    },
    {
      "resolution_limits": [3.540,3.370],
      "number_observations": 13867,
      "number_observations_unique": 7844,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.087
        },
        {
          "type": "R(meas)",
          "value": 0.148
        },
        {
          "type": "I/SigI",
          "value": 6.950
        },
        {
          "type": "Completeness",
          "value": 96.900
        }
      ]
    },
    {
      "resolution_limits": [3.730,3.540],
      "number_observations": 11944,
      "number_observations_unique": 7088,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.071
        },
        {
          "type": "R(meas)",
          "value": 0.121
        },
        {
          "type": "I/SigI",
          "value": 8.390
        },
        {
          "type": "Completeness",
          "value": 92.300
        }
      ]
    },
    {
      "resolution_limits": [3.950,3.730],
      "number_observations": 13149,
      "number_observations_unique": 7047,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.060
        },
        {
          "type": "R(meas)",
          "value": 0.098
        },
        {
          "type": "I/SigI",
          "value": 10.500
        },
        {
          "type": "Completeness",
          "value": 96.600
        }
      ]
    },
    {
      "resolution_limits": [4.230,3.950],
      "number_observations": 12035,
      "number_observations_unique": 6483,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.054
        },
        {
          "type": "R(meas)",
          "value": 0.083
        },
        {
          "type": "I/SigI",
          "value": 12.000
        },
        {
          "type": "Completeness",
          "value": 95.700
        }
      ]
    },
    {
      "resolution_limits": [4.570,4.230],
      "number_observations": 11033,
      "number_observations_unique": 6026,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.049
        },
        {
          "type": "R(meas)",
          "value": 0.074
        },
        {
          "type": "I/SigI",
          "value": 13.200
        },
        {
          "type": "Completeness",
          "value": 94.700
        }
      ]
    },
    {
      "resolution_limits": [5.000,4.570],
      "number_observations": 9832,
      "number_observations_unique": 5496,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.051
        },
        {
          "type": "R(meas)",
          "value": 0.068
        },
        {
          "type": "I/SigI",
          "value": 13.720
        },
        {
          "type": "Completeness",
          "value": 93.900
        }
      ]
    },
    {
      "resolution_limits": [5.590,5.000],
      "number_observations": 8086,
      "number_observations_unique": 4829,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.051
        },
        {
          "type": "R(meas)",
          "value": 0.071
        },
        {
          "type": "I/SigI",
          "value": 12.910
        },
        {
          "type": "Completeness",
          "value": 91.400
        }
      ]
    },
    {
      "resolution_limits": [6.460,5.590],
      "number_observations": 8436,
      "number_observations_unique": 4490,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.042
        },
        {
          "type": "R(meas)",
          "value": 0.071
        },
        {
          "type": "I/SigI",
          "value": 13.330
        },
        {
          "type": "Completeness",
          "value": 96.000
        }
      ]
    },
    {
      "resolution_limits": [7.910,6.460],
      "number_observations": 6839,
      "number_observations_unique": 3705,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.033
        },
        {
          "type": "R(meas)",
          "value": 0.059
        },
        {
          "type": "I/SigI",
          "value": 15.330
        },
        {
          "type": "Completeness",
          "value": 95.100
        }
      ]
    },
    {
      "resolution_limits": [11.190,7.910],
      "number_observations": 4780,
      "number_observations_unique": 2774,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.032
        },
        {
          "type": "R(meas)",
          "value": 0.046
        },
        {
          "type": "I/SigI",
          "value": 17.860
        },
        {
          "type": "Completeness",
          "value": 90.800
        }
      ]
    },
    {
      "resolution_limits": [49.43,11.190],
      "number_observations": 3003,
      "number_observations_unique": 1538,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.045
        },
        {
          "type": "I/SigI",
          "value": 20.090
        },
        {
          "type": "Completeness",
          "value": 91.500
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 49.430 49.430 2.640
High resolution limit [Å] 2.501 11.190 2.570
R(merge) 0.1072 - 0.5650
R(meas) 0.1300 0.0450 1.0070
Completeness [%] 98.1 91.5 96.4
Multiplicity 3.4 - -


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

Resolution [Å] R(merge) R(meas) Completeness [%]
49.430-11.190 - 0.0450 91.5
11.190-7.910 0.0320 0.0460 90.8
7.910-6.460 0.0330 0.0590 95.1
6.460-5.590 0.0420 0.0710 96.0
5.590-5.000 0.0510 0.0710 91.4
5.000-4.570 0.0510 0.0680 93.9
4.570-4.230 0.0490 0.0740 94.7
4.230-3.950 0.0540 0.0830 95.7
3.950-3.730 0.0600 0.0980 96.6
3.730-3.540 0.0710 0.1210 92.3
3.540-3.370 0.0870 0.1480 96.9
3.370-3.230 0.1070 0.1910 96.7
3.230-3.100 0.1390 0.2360 96.8
3.100-2.990 0.1710 0.3080 96.7
2.990-2.890 0.2230 0.3790 97.1
2.890-2.800 0.2740 0.4790 94.7
2.800-2.710 0.3470 0.6670 94.5
2.710-2.640 0.4840 0.7800 96.8
2.640-2.570 0.5650 1.0070 96.4
2.591-2.501 0.7320 1.2260 97.3