Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d406bf4ecd61db7b1a125f3ffec4c5a1",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 97.335,
"b": 97.335,
"c": 216.744,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97740],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [84.290,2.000],
"number_observations": 593868,
"number_observations_unique": 81230,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.109
},
{
"type": "R(meas)",
"value": 0.117
},
{
"type": "R(pim)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 13.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.040,2.000],
"number_observations": 32608,
"number_observations_unique": 4398,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.719
},
{
"type": "R(meas)",
"value": 1.848
},
{
"type": "R(pim)",
"value": 0.674
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.400
},
{
"type": "CC(1/2)",
"value": 0.468
}
]
},
{
"resolution_limits": [84.290,10.390],
"number_observations": 4310,
"number_observations_unique": 691,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.015
},
{
"type": "R(meas)",
"value": 0.016
},
{
"type": "R(pim)",
"value": 0.006
},
{
"type": "I/SigI",
"value": 62.700
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}