Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2f7f5d84ed0ab4075cde5df5e8953ecc",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 66.62,
"b": 138.36,
"c": 101.28,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.07500],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [69.180,1.650],
"number_observations": 442034,
"number_observations_unique": 56025,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.139
},
{
"type": "R(meas)",
"value": 0.149
},
{
"type": "R(pim)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 9.200
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 7.900
}
]
},
"refln_shells": [
{
"resolution_limits": [1.740,1.650],
"number_observations": 64450,
"number_observations_unique": 8057,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.806
},
{
"type": "R(pim)",
"value": 0.299
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 8.000
}
]
},
{
"resolution_limits": [1.840,1.740],
"number_observations": 61464,
"number_observations_unique": 7630,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.502
},
{
"type": "R(pim)",
"value": 0.186
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 8.100
}
]
},
{
"resolution_limits": [1.970,1.840],
"number_observations": 57888,
"number_observations_unique": 7205,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.307
},
{
"type": "R(pim)",
"value": 0.114
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 8.000
}
]
},
{
"resolution_limits": [2.130,1.970],
"number_observations": 54152,
"number_observations_unique": 6742,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.210
},
{
"type": "R(pim)",
"value": 0.078
},
{
"type": "I/SigI",
"value": 3.300
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 8.000
}
]
},
{
"resolution_limits": [2.330,2.130],
"number_observations": 49662,
"number_observations_unique": 6230,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.159
},
{
"type": "R(pim)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 3.800
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 8.000
}
]
},
{
"resolution_limits": [2.610,2.330],
"number_observations": 44735,
"number_observations_unique": 5656,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.139
},
{
"type": "R(pim)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 4.200
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 7.900
}
]
},
{
"resolution_limits": [3.010,2.610],
"number_observations": 39189,
"number_observations_unique": 5026,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.120
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 4.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.800
}
]
},
{
"resolution_limits": [3.690,3.010],
"number_observations": 32506,
"number_observations_unique": 4303,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.114
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 4.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.600
}
]
},
{
"resolution_limits": [5.220,3.690],
"number_observations": 24155,
"number_observations_unique": 3325,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.107
},
{
"type": "R(pim)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 4.600
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 7.300
}
]
},
{
"resolution_limits": [40.862,5.220],
"number_observations": 13833,
"number_observations_unique": 1851,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.110
},
{
"type": "R(pim)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 4.500
},
{
"type": "Completeness",
"value": 95.700
},
{
"type": "Redundancy",
"value": 7.500
}
]
}
]
}