{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "eea31af05845a8925729929c07b96c05",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 182.118,
"b": 59.060,
"c": 67.405,
"alpha": 90.00,
"beta": 94.84,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [90.735,1.200],
"number_observations": 1401307,
"number_observations_unique": 212937,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.103
},
{
"type": "R(meas)",
"value": 0.120
},
{
"type": "R(pim)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 9.100
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 6.600
}
]
},
"refln_shells": [
{
"resolution_limits": [1.260,1.200],
"number_observations": 117005,
"number_observations_unique": 30387,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.975
},
{
"type": "R(meas)",
"value": 1.185
},
{
"type": "R(pim)",
"value": 0.599
},
{
"type": "I/SigI",
"value": 0.600
},
{
"type": "Completeness",
"value": 94.400
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
{
"resolution_limits": [1.340,1.260],
"number_observations": 208653,
"number_observations_unique": 29087,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.557
},
{
"type": "R(meas)",
"value": 0.633
},
{
"type": "R(pim)",
"value": 0.234
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 95.500
},
{
"type": "Redundancy",
"value": 7.200
}
]
},
{
"resolution_limits": [1.430,1.340],
"number_observations": 198859,
"number_observations_unique": 27523,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.343
},
{
"type": "R(meas)",
"value": 0.395
},
{
"type": "R(pim)",
"value": 0.146
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 96.200
},
{
"type": "Redundancy",
"value": 7.200
}
]
},
{
"resolution_limits": [1.550,1.430],
"number_observations": 185842,
"number_observations_unique": 25875,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.214
},
{
"type": "R(meas)",
"value": 0.249
},
{
"type": "R(pim)",
"value": 0.092
},
{
"type": "I/SigI",
"value": 3.100
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 7.200
}
]
},
{
"resolution_limits": [1.700,1.550],
"number_observations": 170825,
"number_observations_unique": 23914,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.139
},
{
"type": "R(meas)",
"value": 0.159
},
{
"type": "R(pim)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 4.900
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 7.100
}
]
},
{
"resolution_limits": [1.900,1.700],
"number_observations": 154363,
"number_observations_unique": 21848,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "R(meas)",
"value": 0.114
},
{
"type": "R(pim)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 6.500
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 7.100
}
]
},
{
"resolution_limits": [2.190,1.900],
"number_observations": 133142,
"number_observations_unique": 19451,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "R(meas)",
"value": 0.100
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 7.100
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 6.800
}
]
},
{
"resolution_limits": [2.680,2.190],
"number_observations": 107262,
"number_observations_unique": 16493,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
"value": 0.095
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 7.500
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 6.500
}
]
},
{
"resolution_limits": [3.790,2.680],
"number_observations": 87916,
"number_observations_unique": 12691,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.072
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 9.800
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 6.900
}
]
},
{
"resolution_limits": [36.204,3.790],
"number_observations": 37440,
"number_observations_unique": 5668,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 10.000
},
{
"type": "Completeness",
"value": 78.500
},
{
"type": "Redundancy",
"value": 6.600
}
]
}
]
}
|