Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d4379f97ed7e9a2fbbc498417b9d75a7",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 61.122,
"b": 79.996,
"c": 132.747,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [55.519,3.100],
"number_observations_unique": 12239,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.198
},
{
"type": "R(meas)",
"value": 0.222
},
{
"type": "I/SigI",
"value": 6.880
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 4.819
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [3.180,3.100],
"number_observations_unique": 832,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.127
},
{
"type": "R(meas)",
"value": 1.265
},
{
"type": "I/SigI",
"value": 1.430
},
{
"type": "Completeness",
"value": 91.500
},
{
"type": "Redundancy",
"value": 4.710
},
{
"type": "CC(1/2)",
"value": 0.553
}
]
},
{
"resolution_limits": [3.270,3.180],
"number_observations_unique": 843,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.910
},
{
"type": "R(meas)",
"value": 1.017
},
{
"type": "I/SigI",
"value": 1.920
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.960
},
{
"type": "CC(1/2)",
"value": 0.669
}
]
},
{
"resolution_limits": [3.360,3.270],
"number_observations_unique": 851,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.770
},
{
"type": "R(meas)",
"value": 0.861
},
{
"type": "I/SigI",
"value": 2.290
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.974
},
{
"type": "CC(1/2)",
"value": 0.762
}
]
},
{
"resolution_limits": [3.470,3.360],
"number_observations_unique": 842,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.700
},
{
"type": "R(meas)",
"value": 0.784
},
{
"type": "I/SigI",
"value": 2.520
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.907
},
{
"type": "CC(1/2)",
"value": 0.772
}
]
},
{
"resolution_limits": [3.580,3.470],
"number_observations_unique": 787,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.553
},
{
"type": "R(meas)",
"value": 0.617
},
{
"type": "I/SigI",
"value": 3.160
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.837
}
]
},
{
"resolution_limits": [3.710,3.580],
"number_observations_unique": 763,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.448
},
{
"type": "R(meas)",
"value": 0.501
},
{
"type": "I/SigI",
"value": 3.820
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.894
},
{
"type": "CC(1/2)",
"value": 0.866
}
]
},
{
"resolution_limits": [3.850,3.710],
"number_observations_unique": 763,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.387
},
{
"type": "R(meas)",
"value": 0.433
},
{
"type": "I/SigI",
"value": 4.670
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.906
},
{
"type": "CC(1/2)",
"value": 0.902
}
]
},
{
"resolution_limits": [4.000,3.850],
"number_observations_unique": 713,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.320
},
{
"type": "R(meas)",
"value": 0.358
},
{
"type": "I/SigI",
"value": 5.310
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.902
},
{
"type": "CC(1/2)",
"value": 0.948
}
]
},
{
"resolution_limits": [4.180,4.000],
"number_observations_unique": 691,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.238
},
{
"type": "R(meas)",
"value": 0.267
},
{
"type": "I/SigI",
"value": 6.750
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.928
},
{
"type": "CC(1/2)",
"value": 0.971
}
]
},
{
"resolution_limits": [4.380,4.180],
"number_observations_unique": 673,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.183
},
{
"type": "R(meas)",
"value": 0.205
},
{
"type": "I/SigI",
"value": 8.630
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.869
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [4.620,4.380],
"number_observations_unique": 624,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.165
},
{
"type": "R(meas)",
"value": 0.185
},
{
"type": "I/SigI",
"value": 9.520
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 4.766
},
{
"type": "CC(1/2)",
"value": 0.975
}
]
},
{
"resolution_limits": [4.900,4.620],
"number_observations_unique": 596,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.160
},
{
"type": "R(meas)",
"value": 0.180
},
{
"type": "I/SigI",
"value": 9.060
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.827
},
{
"type": "CC(1/2)",
"value": 0.980
}
]
},
{
"resolution_limits": [5.240,4.900],
"number_observations_unique": 574,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.157
},
{
"type": "R(meas)",
"value": 0.177
},
{
"type": "I/SigI",
"value": 9.070
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.801
},
{
"type": "CC(1/2)",
"value": 0.980
}
]
},
{
"resolution_limits": [5.660,5.240],
"number_observations_unique": 537,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.176
},
{
"type": "R(meas)",
"value": 0.199
},
{
"type": "I/SigI",
"value": 8.020
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 4.795
},
{
"type": "CC(1/2)",
"value": 0.974
}
]
},
{
"resolution_limits": [6.200,5.660],
"number_observations_unique": 495,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.165
},
{
"type": "R(meas)",
"value": 0.186
},
{
"type": "I/SigI",
"value": 8.480
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.731
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
},
{
"resolution_limits": [6.930,6.200],
"number_observations_unique": 451,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.134
},
{
"type": "R(meas)",
"value": 0.152
},
{
"type": "I/SigI",
"value": 9.700
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.630
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
{
"resolution_limits": [8.000,6.930],
"number_observations_unique": 404,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(meas)",
"value": 0.089
},
{
"type": "I/SigI",
"value": 14.150
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.478
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [9.800,8.000],
"number_observations_unique": 350,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 21.550
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.631
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [13.860,9.800],
"number_observations_unique": 279,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 25.800
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 4.401
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [55.519,13.860],
"number_observations_unique": 171,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 24.520
},
{
"type": "Completeness",
"value": 94.500
},
{
"type": "Redundancy",
"value": 3.836
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}