Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8533c33b059e5a54d0dc26fdd73bb28b",
"space_group_name": "P 63",
"unit_cell": {
"a": 91.60,
"b": 91.60,
"c": 82.96,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.73970],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.800,2.050],
"number_observations": 225029,
"number_observations_unique": 24733,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.195
},
{
"type": "R(meas)",
"value": 0.206
},
{
"type": "R(pim)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 7.400
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 9.100
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [2.100,2.050],
"number_observations": 9602,
"number_observations_unique": 1806,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.452
},
{
"type": "R(meas)",
"value": 1.607
},
{
"type": "R(pim)",
"value": 0.678
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.408
}
]
},
{
"resolution_limits": [45.800,9.170],
"number_observations": 2926,
"number_observations_unique": 293,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "R(meas)",
"value": 0.108
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 18.500
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 10.000
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
}
]
}