Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "17556703002184c74622847a3494d536",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 45.402,
"b": 73.145,
"c": 52.869,
"alpha": 90.00,
"beta": 109.65,
"gamma": 90.00
},
"wavelengths": [0.91841],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.759,1.470],
"number_observations": 121301,
"number_observations_unique": 51878,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 12.860
},
{
"type": "Completeness",
"value": 93.500
},
{
"type": "Redundancy",
"value": 2.338
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.560,1.470],
"number_observations": 18910,
"number_observations_unique": 8185,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.277
},
{
"type": "R(meas)",
"value": 0.350
},
{
"type": "I/SigI",
"value": 3.520
},
{
"type": "Completeness",
"value": 91.700
},
{
"type": "CC(1/2)",
"value": 0.888
}
]
},
{
"resolution_limits": [1.670,1.560],
"number_observations": 17538,
"number_observations_unique": 7694,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.202
},
{
"type": "R(meas)",
"value": 0.257
},
{
"type": "I/SigI",
"value": 4.900
},
{
"type": "Completeness",
"value": 91.700
},
{
"type": "CC(1/2)",
"value": 0.932
}
]
},
{
"resolution_limits": [1.800,1.670],
"number_observations": 16544,
"number_observations_unique": 7277,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.130
},
{
"type": "R(meas)",
"value": 0.165
},
{
"type": "I/SigI",
"value": 7.190
},
{
"type": "Completeness",
"value": 93.200
},
{
"type": "CC(1/2)",
"value": 0.965
}
]
},
{
"resolution_limits": [1.970,1.800],
"number_observations": 16810,
"number_observations_unique": 6922,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "R(meas)",
"value": 0.098
},
{
"type": "I/SigI",
"value": 11.230
},
{
"type": "Completeness",
"value": 95.500
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [2.200,1.970],
"number_observations": 14846,
"number_observations_unique": 6171,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 15.870
},
{
"type": "Completeness",
"value": 94.800
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [2.540,2.200],
"number_observations": 12076,
"number_observations_unique": 5385,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 18.060
},
{
"type": "Completeness",
"value": 93.400
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [3.110,2.540],
"number_observations": 11427,
"number_observations_unique": 4653,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 23.570
},
{
"type": "Completeness",
"value": 95.300
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [4.390,3.110],
"number_observations": 8303,
"number_observations_unique": 3573,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 28.660
},
{
"type": "Completeness",
"value": 93.700
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [42.759,4.390],
"number_observations": 4847,
"number_observations_unique": 2018,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 31.460
},
{
"type": "Completeness",
"value": 93.800
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}