Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e4cffb72e77b5298244bf800d6e76f12",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 93.22,
"b": 53.53,
"c": 82.50,
"alpha": 90.00,
"beta": 95.37,
"gamma": 90.00
},
"wavelengths": [0.97946],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.370,2.400],
"number_observations": 88089,
"number_observations_unique": 15215,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.362
},
{
"type": "R(meas)",
"value": 0.399
},
{
"type": "R(pim)",
"value": 0.162
},
{
"type": "I/SigI",
"value": 4.000
},
{
"type": "Completeness",
"value": 95.000
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.975
}
]
},
"refln_shells": [
{
"resolution_limits": [2.490,2.400],
"number_observations": 9508,
"number_observations_unique": 1647,
"quality_factors": [
{
"type": "R(merge)",
"value": 9.194
},
{
"type": "R(meas)",
"value": 10.133
},
{
"type": "R(pim)",
"value": 4.164
},
{
"type": "I/SigI",
"value": 0.500
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.214
}
]
},
{
"resolution_limits": [46.370,8.980],
"number_observations": 2012,
"number_observations_unique": 323,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "R(meas)",
"value": 0.100
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 12.600
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
}
]
}