Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "62890753c9db4874011781bde8a24da5",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 127.094,
"b": 84.712,
"c": 87.911,
"alpha": 90.00,
"beta": 130.95,
"gamma": 90.00
},
"wavelengths": [0.97620],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [66.410,1.30],
"number_observations": 765395,
"number_observations_unique": 128291,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 17.600
},
{
"type": "Completeness",
"value": 76.900
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.390,1.30],
"number_observations": 10920,
"number_observations_unique": 4399,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.907
},
{
"type": "R(meas)",
"value": 1.120
},
{
"type": "R(pim)",
"value": 0.641
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 18.200
},
{
"type": "Redundancy",
"value": 2.500
},
{
"type": "CC(1/2)",
"value": 0.600
}
]
},
{
"resolution_limits": [66.410,4.160],
"number_observations": 36979,
"number_observations_unique": 5402,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 72.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}