Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7b9bb37183ff044023340237de03efa6",
"space_group_name": "P 65",
"unit_cell": {
"a": 98.214,
"b": 98.214,
"c": 80.881,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [85.13,2.550],
"number_observations_unique": 14489,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "I/SigI",
"value": 8.3
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 5.800
}
]
},
"refln_shells": [
{
"resolution_limits": [2.690,2.550],
"number_observations": 12156,
"number_observations_unique": 2099,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.404
},
{
"type": "R(meas)",
"value": 0.445
},
{
"type": "R(pim)",
"value": 0.184
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 5.800
}
]
},
{
"resolution_limits": [2.850,2.690],
"number_observations": 11462,
"number_observations_unique": 1975,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.268
},
{
"type": "R(meas)",
"value": 0.295
},
{
"type": "R(pim)",
"value": 0.122
},
{
"type": "I/SigI",
"value": 2.800
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 5.800
}
]
},
{
"resolution_limits": [3.050,2.850],
"number_observations": 10879,
"number_observations_unique": 1876,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.180
},
{
"type": "R(meas)",
"value": 0.197
},
{
"type": "R(pim)",
"value": 0.082
},
{
"type": "I/SigI",
"value": 4.200
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 5.800
}
]
},
{
"resolution_limits": [3.290,3.050],
"number_observations": 10098,
"number_observations_unique": 1743,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.112
},
{
"type": "R(meas)",
"value": 0.123
},
{
"type": "R(pim)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 6.500
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 5.800
}
]
},
{
"resolution_limits": [3.610,3.290],
"number_observations": 9291,
"number_observations_unique": 1603,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.083
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 9.100
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.800
}
]
},
{
"resolution_limits": [4.030,3.610],
"number_observations": 8436,
"number_observations_unique": 1460,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 10.100
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.800
}
]
},
{
"resolution_limits": [4.660,4.030],
"number_observations": 7470,
"number_observations_unique": 1291,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 13.100
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.800
}
]
},
{
"resolution_limits": [5.700,4.660],
"number_observations": 6353,
"number_observations_unique": 1108,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 13.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.700
}
]
},
{
"resolution_limits": [8.060,5.700],
"number_observations": 4842,
"number_observations_unique": 850,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 13.800
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.700
}
]
},
{
"resolution_limits": [85.126,8.060],
"number_observations": 2635,
"number_observations_unique": 484,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 14.400
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 5.400
}
]
}
]
}