Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "dc5d216dd9f56edfa16a0701dd43ca77",
"space_group_name": "P 1",
"unit_cell": {
"a": 59.130,
"b": 70.161,
"c": 85.280,
"alpha": 102.81,
"beta": 96.13,
"gamma": 112.39
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [81.250,2.090],
"number_observations": 239542,
"number_observations_unique": 69661,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "R(meas)",
"value": 0.114
},
{
"type": "R(pim)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 6.600
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
"refln_shells": [
{
"resolution_limits": [2.130,2.090],
"number_observations": 15685,
"number_observations_unique": 4391,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.692
},
{
"type": "R(meas)",
"value": 1.994
},
{
"type": "R(pim)",
"value": 1.043
},
{
"type": "I/SigI",
"value": 0.600
},
{
"type": "Completeness",
"value": 94.400
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.367
}
]
},
{
"resolution_limits": [81.250,10.010],
"number_observations": 2480,
"number_observations_unique": 638,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 34.300
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.960
}
]
}
]
}