Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "90f2b1d9a41257bfa4e39c358b8d9127",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 71.207,
"b": 71.207,
"c": 196.600,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92124],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [98.330,1.410],
"number_observations": 2305753,
"number_observations_unique": 98565,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.168
},
{
"type": "R(meas)",
"value": 0.171
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 10.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 23.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.430,1.410],
"number_observations": 61250,
"number_observations_unique": 4928,
"quality_factors": [
{
"type": "R(merge)",
"value": 6.073
},
{
"type": "R(meas)",
"value": 6.334
},
{
"type": "R(pim)",
"value": 1.777
},
{
"type": "I/SigI",
"value": 0.300
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 12.400
},
{
"type": "CC(1/2)",
"value": 0.325
}
]
},
{
"resolution_limits": [98.330,7.590],
"number_observations": 16406,
"number_observations_unique": 791,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 67.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 20.700
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}