Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b5ce84a94f239bb4e26e96a7e8bc35a7",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 69.805,
"b": 101.247,
"c": 172.935,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.45900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.585,1.750],
"number_observations_unique": 123099,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "R(meas)",
"value": 0.091
},
{
"type": "I/SigI",
"value": 13.070
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.038
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.860,1.750],
"number_observations_unique": 19276,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.566
},
{
"type": "R(meas)",
"value": 1.741
},
{
"type": "I/SigI",
"value": 1.010
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 5.161
},
{
"type": "CC(1/2)",
"value": 0.606
}
]
},
{
"resolution_limits": [1.980,1.860],
"number_observations_unique": 18608,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.781
},
{
"type": "R(meas)",
"value": 0.865
},
{
"type": "I/SigI",
"value": 2.030
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 5.370
},
{
"type": "CC(1/2)",
"value": 0.884
}
]
},
{
"resolution_limits": [2.140,1.980],
"number_observations_unique": 17333,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.431
},
{
"type": "R(meas)",
"value": 0.469
},
{
"type": "I/SigI",
"value": 4.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.355
},
{
"type": "CC(1/2)",
"value": 0.937
}
]
},
{
"resolution_limits": [2.350,2.140],
"number_observations_unique": 16017,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.261
},
{
"type": "R(meas)",
"value": 0.284
},
{
"type": "I/SigI",
"value": 6.950
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.472
},
{
"type": "CC(1/2)",
"value": 0.975
}
]
},
{
"resolution_limits": [2.620,2.350],
"number_observations_unique": 14558,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.166
},
{
"type": "R(meas)",
"value": 0.182
},
{
"type": "I/SigI",
"value": 10.220
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.973
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [3.030,2.620],
"number_observations_unique": 12874,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "R(meas)",
"value": 0.101
},
{
"type": "I/SigI",
"value": 18.430
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.837
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.700,3.030],
"number_observations_unique": 10943,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 31.000
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.555
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [5.220,3.700],
"number_observations_unique": 8584,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 44.760
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.902
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [48.585,5.220],
"number_observations_unique": 4906,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 52.550
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 6.672
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}