Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "10e7a5b49337daa8baf60accfc629328",
"space_group_name": "P 41",
"unit_cell": {
"a": 90.624,
"b": 90.624,
"c": 90.663,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.330,1.650],
"number_observations": 2366162,
"number_observations_unique": 87997,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "R(pim)",
"value": 0.008
},
{
"type": "I/SigI",
"value": 58.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 26.900
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.680,1.650],
"number_observations": 72160,
"number_observations_unique": 4336,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.177
},
{
"type": "R(meas)",
"value": 0.183
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 14.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 16.600
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [45.330,9.040],
"number_observations": 13872,
"number_observations_unique": 562,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "R(pim)",
"value": 0.008
},
{
"type": "I/SigI",
"value": 110.000
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 24.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}