Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a1b61bc23a0cdfbba2119997969d15c5",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 39.553,
"b": 65.540,
"c": 55.121,
"alpha": 90.00,
"beta": 92.72,
"gamma": 90.00
},
"wavelengths": [1.45900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [55.060,1.690],
"number_observations_unique": 29583,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 16.300
},
{
"type": "Completeness",
"value": 94.500
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [1.780,1.690],
"number_observations": 12793,
"number_observations_unique": 4104,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.382
},
{
"type": "R(meas)",
"value": 0.463
},
{
"type": "R(pim)",
"value": 0.257
},
{
"type": "I/SigI",
"value": 3.200
},
{
"type": "Completeness",
"value": 89.800
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.885
}
]
},
{
"resolution_limits": [55.060,5.350],
"number_observations": 3309,
"number_observations_unique": 981,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 30.500
},
{
"type": "Completeness",
"value": 95.400
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.979
}
]
}
]
}