Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "76acc91d8a697ff69699dcdac0b094ef",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 57.650,
"b": 164.626,
"c": 50.105,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97860],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.8400,1.320],
"number_observations_unique": 56290,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 25.200
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 12.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.340,1.320],
"number_observations": 29493,
"number_observations_unique": 2661,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.451
},
{
"type": "R(meas)",
"value": 0.472
},
{
"type": "R(pim)",
"value": 0.139
},
{
"type": "I/SigI",
"value": 4.100
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 11.100
},
{
"type": "CC(1/2)",
"value": 0.960
}
]
},
{
"resolution_limits": [42.800,7.230],
"number_observations": 3473,
"number_observations_unique": 393,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 48.700
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 8.800
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}