Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "33a61f68481c4b0f3af95e334122ded3",
"space_group_name": "P 65 2 2",
"unit_cell": {
"a": 47.007,
"b": 47.007,
"c": 126.190,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97911],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.370,1.700],
"number_observations_unique": 16687,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 26.100
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 7.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.730,1.700],
"number_observations": 4036,
"number_observations_unique": 506,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.705
},
{
"type": "R(meas)",
"value": 0.755
},
{
"type": "R(pim)",
"value": 0.265
},
{
"type": "I/SigI",
"value": 2.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.000
},
{
"type": "CC(1/2)",
"value": 0.804
}
]
},
{
"resolution_limits": [19.370,9.000],
"number_observations": 438,
"number_observations_unique": 88,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 55.500
},
{
"type": "Completeness",
"value": 90.200
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}