Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "bd2d091276ac9404ca40688bb5adc813",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 82.429,
"b": 82.429,
"c": 140.345,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.98000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.78,2.200],
"number_observations_unique": 28711,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(meas)",
"value": 0.074
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 14.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.270,2.200],
"number_observations": 16404,
"number_observations_unique": 2449,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.852
},
{
"type": "R(meas)",
"value": 0.924
},
{
"type": "R(pim)",
"value": 0.349
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.832
}
]
},
{
"resolution_limits": [46.780,9.070],
"number_observations": 4175,
"number_observations_unique": 477,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 38.000
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 8.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}