Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "05f70b87c46e3b87165a7194d5573721",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 115.30,
"b": 115.30,
"c": 43.59,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.590,1.600],
"number_observations": 500260,
"number_observations_unique": 39340,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.117
},
{
"type": "R(meas)",
"value": 0.122
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 11.900
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 12.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.640,1.600],
"number_observations": 28900,
"number_observations_unique": 2858,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.695
},
{
"type": "R(meas)",
"value": 1.786
},
{
"type": "R(pim)",
"value": 0.556
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 10.100
},
{
"type": "CC(1/2)",
"value": 0.719
}
]
},
{
"resolution_limits": [43.590,7.160],
"number_observations": 5721,
"number_observations_unique": 529,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 35.800
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 10.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}