Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "382d2e01346f38d1b8f88b051b143936",
"space_group_name": "H 3",
"unit_cell": {
"a": 95.117,
"b": 95.117,
"c": 121.417,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97931],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [68.170,1.990],
"number_observations": 163070,
"number_observations_unique": 28089,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.132
},
{
"type": "R(meas)",
"value": 0.145
},
{
"type": "R(pim)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 11.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.100,1.990],
"number_observations": 23746,
"number_observations_unique": 4103,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.874
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 2.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.755
}
]
},
{
"resolution_limits": [68.170,6.290],
"number_observations": 4675,
"number_observations_unique": 875,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 32.000
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}