Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "32dd130610aba80afa89c27b4c56bf88",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 45.838,
"b": 86.228,
"c": 126.549,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.210,1.500],
"number_observations": 535154,
"number_observations_unique": 80561,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 20.300
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.540,1.500],
"number_observations": 38083,
"number_observations_unique": 5733,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.771
},
{
"type": "R(meas)",
"value": 0.835
},
{
"type": "R(pim)",
"value": 0.317
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.758
}
]
},
{
"resolution_limits": [29.210,6.700],
"number_observations": 6553,
"number_observations_unique": 1034,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 60.700
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}