Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "cfdbf0ffbdb447adc10b07176053cc5a",
"space_group_name": "P 3 2 1",
"unit_cell": {
"a": 124.70,
"b": 124.70,
"c": 41.19,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97628],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.000,1.570],
"number_observations": 573203,
"number_observations_unique": 51396,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 20.900
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 11.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.610,1.570],
"number_observations": 41311,
"number_observations_unique": 3749,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.003
},
{
"type": "R(meas)",
"value": 2.101
},
{
"type": "R(pim)",
"value": 0.631
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 11.000
},
{
"type": "CC(1/2)",
"value": 0.654
}
]
},
{
"resolution_limits": [54.000,7.020],
"number_observations": 6342,
"number_observations_unique": 634,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 66.700
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 10.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}