Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "85babd9ac766ef42cac0646bd24d4d94",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 80.693,
"b": 49.422,
"c": 114.672,
"alpha": 90.00,
"beta": 95.15,
"gamma": 90.00
},
"wavelengths": [0.97620],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [80.320,1.850],
"number_observations": 528903,
"number_observations_unique": 77319,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.125
},
{
"type": "R(meas)",
"value": 0.135
},
{
"type": "R(pim)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 6.600
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.890,1.850],
"number_observations": 29704,
"number_observations_unique": 4365,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.987
},
{
"type": "R(meas)",
"value": 3.236
},
{
"type": "R(pim)",
"value": 1.232
},
{
"type": "I/SigI",
"value": 0.200
},
{
"type": "Completeness",
"value": 95.700
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.650
}
]
},
{
"resolution_limits": [80.320,9.250],
"number_observations": 4557,
"number_observations_unique": 693,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 37.600
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}