Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0a4ce6fa0aa426e0b50d23d5177c8cdd",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 181.359,
"b": 58.400,
"c": 67.150,
"alpha": 90.00,
"beta": 94.31,
"gamma": 90.00
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [90.423,1.650],
"number_observations_unique": 71493,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.106
},
{
"type": "R(meas)",
"value": 0.140
},
{
"type": "R(pim)",
"value": 0.070
},
{
"type": "I/SigI",
"value": 6.600
},
{
"type": "Completeness",
"value": 84.900
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
"refln_shells": [
{
"resolution_limits": [1.740,1.650],
"number_observations": 38827,
"number_observations_unique": 9770,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.404
},
{
"type": "R(meas)",
"value": 0.561
},
{
"type": "R(pim)",
"value": 0.277
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 79.800
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [1.840,1.740],
"number_observations": 36010,
"number_observations_unique": 9108,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.279
},
{
"type": "R(meas)",
"value": 0.383
},
{
"type": "R(pim)",
"value": 0.189
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 78.700
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [1.970,1.840],
"number_observations": 33228,
"number_observations_unique": 8478,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.202
},
{
"type": "R(meas)",
"value": 0.269
},
{
"type": "R(pim)",
"value": 0.134
},
{
"type": "I/SigI",
"value": 3.300
},
{
"type": "Completeness",
"value": 77.600
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
{
"resolution_limits": [2.130,1.970],
"number_observations": 29864,
"number_observations_unique": 7779,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.141
},
{
"type": "R(meas)",
"value": 0.188
},
{
"type": "R(pim)",
"value": 0.094
},
{
"type": "I/SigI",
"value": 4.500
},
{
"type": "Completeness",
"value": 76.700
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [2.330,2.130],
"number_observations": 27623,
"number_observations_unique": 7559,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.114
},
{
"type": "R(meas)",
"value": 0.152
},
{
"type": "R(pim)",
"value": 0.077
},
{
"type": "I/SigI",
"value": 5.500
},
{
"type": "Completeness",
"value": 80.500
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [2.610,2.330],
"number_observations": 27301,
"number_observations_unique": 7794,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "R(meas)",
"value": 0.142
},
{
"type": "R(pim)",
"value": 0.074
},
{
"type": "I/SigI",
"value": 5.800
},
{
"type": "Completeness",
"value": 92.400
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [3.010,2.610],
"number_observations": 27327,
"number_observations_unique": 7212,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.120
},
{
"type": "R(meas)",
"value": 0.157
},
{
"type": "R(pim)",
"value": 0.079
},
{
"type": "I/SigI",
"value": 4.700
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [3.690,3.010],
"number_observations": 24732,
"number_observations_unique": 6213,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.108
},
{
"type": "R(meas)",
"value": 0.136
},
{
"type": "R(pim)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 5.300
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [5.220,3.690],
"number_observations": 19394,
"number_observations_unique": 4856,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.093
},
{
"type": "R(pim)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 8.400
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [36.413,5.220],
"number_observations": 10524,
"number_observations_unique": 2724,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "R(meas)",
"value": 0.094
},
{
"type": "R(pim)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 7.100
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 3.900
}
]
}
]
}