Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6a0c4da4e32983a77b633cd76511a72e",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 92.725,
"b": 92.787,
"c": 70.994,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97625],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [65.588,1.762],
"number_observations_unique": 23363,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 19.000
},
{
"type": "Completeness",
"value": 89.100
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.893,1.762],
"number_observations": 4651,
"number_observations_unique": 1169,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.717
},
{
"type": "R(meas)",
"value": 0.811
},
{
"type": "R(pim)",
"value": 0.367
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 42.900
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.702
}
]
},
{
"resolution_limits": [65.588,5.367],
"number_observations": 6753,
"number_observations_unique": 1167,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 42.600
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}