Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "491e4f9a714c53d6a70b050272194ec3",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 47.49,
"b": 147.10,
"c": 47.78,
"alpha": 90.00,
"beta": 93.68,
"gamma": 90.00
},
"wavelengths": [0.93950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [73.550,2.700],
"number_observations_unique": 17783,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 12.100
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
"refln_shells": [
{
"resolution_limits": [2.850,2.700],
"number_observations": 9157,
"number_observations_unique": 2610,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.201
},
{
"type": "I/SigI",
"value": 3.800
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [3.020,2.850],
"number_observations": 8705,
"number_observations_unique": 2481,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.150
},
{
"type": "I/SigI",
"value": 4.900
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [3.230,3.020],
"number_observations": 8061,
"number_observations_unique": 2298,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.110
},
{
"type": "I/SigI",
"value": 6.400
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [3.490,3.230],
"number_observations": 7504,
"number_observations_unique": 2155,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 9.000
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [3.820,3.490],
"number_observations": 6877,
"number_observations_unique": 1989,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 10.500
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [4.270,3.820],
"number_observations": 6230,
"number_observations_unique": 1812,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 9.600
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [4.930,4.270],
"number_observations": 5310,
"number_observations_unique": 1563,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 9.400
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [6.040,4.930],
"number_observations": 4098,
"number_observations_unique": 1300,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 9.900
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 3.200
}
]
},
{
"resolution_limits": [8.540,6.040],
"number_observations": 3649,
"number_observations_unique": 1044,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 8.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [45.358,8.540],
"number_observations": 1759,
"number_observations_unique": 531,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 10.400
},
{
"type": "Completeness",
"value": 89.900
},
{
"type": "Redundancy",
"value": 3.300
}
]
}
]
}