Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "5b2f4c366e65df0e627be2a3027ffc6e",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 55.457,
"b": 83.488,
"c": 58.814,
"alpha": 90.0,
"beta": 108.4,
"gamma": 90.0
},
"wavelengths": [0.92202],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [55.820,1.340],
"number_observations": 427611,
"number_observations_unique": 80660,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 27.500
},
{
"type": "Completeness",
"value": 70.800
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.360,1.340],
"number_observations": 235,
"number_observations_unique": 231,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.485
},
{
"type": "R(meas)",
"value": 0.686
},
{
"type": "R(pim)",
"value": 0.485
},
{
"type": "I/SigI",
"value": 0.500
},
{
"type": "Completeness",
"value": 4.100
},
{
"type": "Redundancy",
"value": 1.000
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [55.820,7.340],
"number_observations": 4671,
"number_observations_unique": 733,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 94.700
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.400
}
]
}
]
}