Data quality metrics extracted from 5f1x.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": "8baa10c03a6598e084f25de2d06f8748",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 55.965,
    "b": 74.823,
    "c": 90.222,
    "alpha": 90.00,
    "beta": 98.85,
    "gamma": 90.00
  },
  "wavelengths": [1.03320],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [44.47,1.9],
    "number_observations": 219077,
    "number_observations_unique": 58009,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.112
      },
      {
        "type": "R(meas)",
        "value": 0.131
      },
      {
        "type": "R(pim)",
        "value": 0.067
      },
      {
        "type": "I/SigI",
        "value": 8.300
      },
      {
        "type": "Completeness",
        "value": 99.900
      },
      {
        "type": "Redundancy",
        "value": 3.800
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.000,1.900],
      "number_observations": 32144,
      "number_observations_unique": 8461,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.654
        },
        {
          "type": "R(pim)",
          "value": 0.390
        },
        {
          "type": "I/SigI",
          "value": 1.100
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 3.800
        }
      ]
    },
    {
      "resolution_limits": [2.120,2.000],
      "number_observations": 30327,
      "number_observations_unique": 7973,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.429
        },
        {
          "type": "R(pim)",
          "value": 0.255
        },
        {
          "type": "I/SigI",
          "value": 1.700
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 3.800
        }
      ]
    },
    {
      "resolution_limits": [2.270,2.120],
      "number_observations": 28683,
      "number_observations_unique": 7536,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.307
        },
        {
          "type": "R(pim)",
          "value": 0.182
        },
        {
          "type": "I/SigI",
          "value": 2.300
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 3.800
        }
      ]
    },
    {
      "resolution_limits": [2.450,2.270],
      "number_observations": 26697,
      "number_observations_unique": 6977,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.230
        },
        {
          "type": "R(pim)",
          "value": 0.136
        },
        {
          "type": "I/SigI",
          "value": 3.000
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 3.800
        }
      ]
    },
    {
      "resolution_limits": [2.690,2.450],
      "number_observations": 24453,
      "number_observations_unique": 6431,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.166
        },
        {
          "type": "R(pim)",
          "value": 0.099
        },
        {
          "type": "I/SigI",
          "value": 4.200
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 3.800
        }
      ]
    },
    {
      "resolution_limits": [3.000,2.690],
      "number_observations": 22199,
      "number_observations_unique": 5852,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.116
        },
        {
          "type": "R(pim)",
          "value": 0.069
        },
        {
          "type": "I/SigI",
          "value": 6.000
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 3.800
        }
      ]
    },
    {
      "resolution_limits": [3.470,3.000],
      "number_observations": 19177,
      "number_observations_unique": 5141,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.081
        },
        {
          "type": "R(pim)",
          "value": 0.049
        },
        {
          "type": "I/SigI",
          "value": 7.900
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 3.700
        }
      ]
    },
    {
      "resolution_limits": [4.250,3.470],
      "number_observations": 16073,
      "number_observations_unique": 4363,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.062
        },
        {
          "type": "R(pim)",
          "value": 0.038
        },
        {
          "type": "I/SigI",
          "value": 9.700
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 3.700
        }
      ]
    },
    {
      "resolution_limits": [6.010,4.250],
      "number_observations": 12442,
      "number_observations_unique": 3375,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.056
        },
        {
          "type": "R(pim)",
          "value": 0.034
        },
        {
          "type": "I/SigI",
          "value": 10.000
        },
        {
          "type": "Completeness",
          "value": 99.600
        },
        {
          "type": "Redundancy",
          "value": 3.700
        }
      ]
    },
    {
      "resolution_limits": [44.472,6.010],
      "number_observations": 6882,
      "number_observations_unique": 1900,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.053
        },
        {
          "type": "R(pim)",
          "value": 0.033
        },
        {
          "type": "I/SigI",
          "value": 8.900
        },
        {
          "type": "Completeness",
          "value": 99.400
        },
        {
          "type": "Redundancy",
          "value": 3.600
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 44.470 44.472 2.120
High resolution limit [Å] 1.900 6.010 2.000
R(merge) 0.1120 0.0530 0.4290
R(meas) 0.1310 - -
R(pim) 0.0670 0.0330 0.2550
Completeness [%] 99.9 99.4 100.0
Multiplicity 3.8 3.6 3.8


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

Resolution [Å] R(merge) R(pim) Completeness [%] Multiplicity
44.472-6.010 0.0530 0.0330 99.4 3.6
6.010-4.250 0.0560 0.0340 99.6 3.7
4.250-3.470 0.0620 0.0380 99.8 3.7
3.470-3.000 0.0810 0.0490 99.8 3.7
3.000-2.690 0.1160 0.0690 99.9 3.8
2.690-2.450 0.1660 0.0990 100.0 3.8
2.450-2.270 0.2300 0.1360 100.0 3.8
2.270-2.120 0.3070 0.1820 99.9 3.8
2.120-2.000 0.4290 0.2550 100.0 3.8
2.000-1.900 0.6540 0.3900 100.0 3.8