Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3d649576508b25abff0b5e4350c87b7e",
"space_group_name": "P 41 2 2",
"unit_cell": {
"a": 50.49,
"b": 50.49,
"c": 152.99,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [23.230,2.060],
"number_observations": 108320,
"number_observations_unique": 13018,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.118
},
{
"type": "R(meas)",
"value": 0.126
},
{
"type": "R(pim)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 11.500
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 8.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.110,2.060],
"number_observations": 7911,
"number_observations_unique": 947,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.533
},
{
"type": "R(meas)",
"value": 1.636
},
{
"type": "R(pim)",
"value": 0.564
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 8.400
},
{
"type": "CC(1/2)",
"value": 0.690
}
]
},
{
"resolution_limits": [23.230,9.210],
"number_observations": 1284,
"number_observations_unique": 186,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 37.200
},
{
"type": "Completeness",
"value": 94.300
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}