Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a2eb306c2688f1d41e990143c840f63e",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 158.599,
"b": 45.414,
"c": 58.194,
"alpha": 90.00,
"beta": 95.47,
"gamma": 90.00
},
"wavelengths": [1.03300],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [35.308,1.220],
"number_observations_unique": 106851,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 16.300
},
{
"type": "Completeness",
"value": 87.300
},
{
"type": "Redundancy",
"value": 2.100
}
]
},
"refln_shells": [
{
"resolution_limits": [1.290,1.220],
"number_observations": 24424,
"number_observations_unique": 12670,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.215
},
{
"type": "I/SigI",
"value": 3.600
},
{
"type": "Completeness",
"value": 71.200
},
{
"type": "Redundancy",
"value": 1.900
}
]
},
{
"resolution_limits": [1.360,1.290],
"number_observations": 30030,
"number_observations_unique": 14740,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.166
},
{
"type": "I/SigI",
"value": 4.700
},
{
"type": "Completeness",
"value": 87.700
},
{
"type": "Redundancy",
"value": 2.000
}
]
},
{
"resolution_limits": [1.460,1.360],
"number_observations": 28965,
"number_observations_unique": 14132,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.115
},
{
"type": "I/SigI",
"value": 6.800
},
{
"type": "Completeness",
"value": 89.300
},
{
"type": "Redundancy",
"value": 2.000
}
]
},
{
"resolution_limits": [1.570,1.460],
"number_observations": 27819,
"number_observations_unique": 13479,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "I/SigI",
"value": 10.100
},
{
"type": "Completeness",
"value": 91.600
},
{
"type": "Redundancy",
"value": 2.100
}
]
},
{
"resolution_limits": [1.730,1.570],
"number_observations": 25769,
"number_observations_unique": 12331,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 14.300
},
{
"type": "Completeness",
"value": 90.900
},
{
"type": "Redundancy",
"value": 2.100
}
]
},
{
"resolution_limits": [1.930,1.730],
"number_observations": 23921,
"number_observations_unique": 11354,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 20.500
},
{
"type": "Completeness",
"value": 92.300
},
{
"type": "Redundancy",
"value": 2.100
}
]
},
{
"resolution_limits": [2.230,1.930],
"number_observations": 20655,
"number_observations_unique": 9844,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 27.600
},
{
"type": "Completeness",
"value": 90.400
},
{
"type": "Redundancy",
"value": 2.100
}
]
},
{
"resolution_limits": [2.730,2.230],
"number_observations": 17581,
"number_observations_unique": 8335,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 30.900
},
{
"type": "Completeness",
"value": 90.600
},
{
"type": "Redundancy",
"value": 2.100
}
]
},
{
"resolution_limits": [3.860,2.730],
"number_observations": 13586,
"number_observations_unique": 6442,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 32.700
},
{
"type": "Completeness",
"value": 89.600
},
{
"type": "Redundancy",
"value": 2.100
}
]
},
{
"resolution_limits": [35.308,3.860],
"number_observations": 7344,
"number_observations_unique": 3524,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 33.100
},
{
"type": "Completeness",
"value": 87.700
},
{
"type": "Redundancy",
"value": 2.100
}
]
}
]
}