Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c6a4245465af88fed672f3a596e31344",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 434.39,
"b": 285.58,
"c": 303.06,
"alpha": 90.00,
"beta": 98.99,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.88,3.200],
"number_observations": 4861213,
"number_observations_unique": 1195096,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.345
},
{
"type": "R(meas)",
"value": 0.395
},
{
"type": "I/SigI",
"value": 5.590
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.11
}
]
},
"refln_shells": [
{
"resolution_limits": [3.300,3.200],
"number_observations": 432366,
"number_observations_unique": 105110,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.237
},
{
"type": "R(meas)",
"value": 2.554
},
{
"type": "I/SigI",
"value": 0.950
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [3.400,3.300],
"number_observations": 368042,
"number_observations_unique": 93200,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.658
},
{
"type": "R(meas)",
"value": 1.908
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [3.500,3.400],
"number_observations": 342628,
"number_observations_unique": 82762,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.283
},
{
"type": "R(meas)",
"value": 1.466
},
{
"type": "I/SigI",
"value": 1.530
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [4.000,3.500],
"number_observations": 1226531,
"number_observations_unique": 301106,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.740
},
{
"type": "R(meas)",
"value": 0.846
},
{
"type": "I/SigI",
"value": 2.640
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [5.000,4.000],
"number_observations": 1213829,
"number_observations_unique": 298667,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.311
},
{
"type": "R(meas)",
"value": 0.355
},
{
"type": "I/SigI",
"value": 5.690
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [10.000,5.000],
"number_observations": 1123734,
"number_observations_unique": 275041,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.137
},
{
"type": "R(meas)",
"value": 0.156
},
{
"type": "I/SigI",
"value": 10.730
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [20.000,10.000],
"number_observations": 136664,
"number_observations_unique": 34666,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 21.840
},
{
"type": "Completeness",
"value": 99.600
}
]
},
{
"resolution_limits": [30.000,20.000],
"number_observations": 13944,
"number_observations_unique": 3520,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 30.590
},
{
"type": "Completeness",
"value": 98.800
}
]
},
{
"resolution_limits": [40.000,30.000],
"number_observations": 2981,
"number_observations_unique": 811,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 32.750
},
{
"type": "Completeness",
"value": 92.100
}
]
},
{
"resolution_limits": [50.000,40.000],
"number_observations": 494,
"number_observations_unique": 213,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 14.590
},
{
"type": "Completeness",
"value": 65.900
}
]
},
{
"resolution_limits": [49.88,50.000],
"quality_factors": [
]
}
]
}