Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "bbb9d9ecb8cf75d4b946e78e1bb343bd",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 40.370,
"b": 84.770,
"c": 147.512,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.34138],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [35.44,1.930],
"number_observations_unique": 37746,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.113
},
{
"type": "R(meas)",
"value": 0.124
},
{
"type": "R(pim)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 10.500
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [1.980,1.930],
"number_observations": 9939,
"number_observations_unique": 2190,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.317
},
{
"type": "R(meas)",
"value": 0.358
},
{
"type": "R(pim)",
"value": 0.161
},
{
"type": "I/SigI",
"value": 3.500
},
{
"type": "Completeness",
"value": 86.700
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.910
}
]
},
{
"resolution_limits": [24.490,9.070],
"number_observations": 2257,
"number_observations_unique": 427,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 17.800
},
{
"type": "Completeness",
"value": 94.600
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}