Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "49a5c55cdedf3929d407fea801e06e96",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 29.88,
"b": 45.56,
"c": 47.31,
"alpha": 90.00,
"beta": 96.87,
"gamma": 90.00
},
"wavelengths": [0.97776],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.560,1.620],
"number_observations": 79497,
"number_observations_unique": 14489,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "R(pim)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 12.100
},
{
"type": "Completeness",
"value": 89.000
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [1.640,1.620],
"number_observations": 4410,
"number_observations_unique": 790,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.310
},
{
"type": "R(pim)",
"value": 0.141
},
{
"type": "I/SigI",
"value": 4.700
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.960
}
]
},
{
"resolution_limits": [45.560,8.850],
"number_observations": 688,
"number_observations_unique": 112,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "R(pim)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 20.700
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
}
]
}