Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "851fe2b9c3e6af0e8d44535a3d092e63",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 45.81,
"b": 86.27,
"c": 127.25,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [63.620,1.520],
"number_observations": 513618,
"number_observations_unique": 78173,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 16.300
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.560,1.520],
"number_observations": 38932,
"number_observations_unique": 5706,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.343
},
{
"type": "R(meas)",
"value": 1.452
},
{
"type": "R(pim)",
"value": 0.548
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.548
}
]
},
{
"resolution_limits": [63.620,6.800],
"number_observations": 6427,
"number_observations_unique": 1024,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 50.700
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}