Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e77d2706220fb967d177ba35664401b8",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 50.429,
"b": 68.393,
"c": 116.836,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.96546],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.588,1.653],
"number_observations": 74158,
"number_observations_unique": 15233,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 18.600
},
{
"type": "Completeness",
"value": 91.300
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.839,1.653],
"number_observations": 4416,
"number_observations_unique": 830,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.935
},
{
"type": "R(meas)",
"value": 1.038
},
{
"type": "R(pim)",
"value": 0.442
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 51.000
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.662
}
]
},
{
"resolution_limits": [40.588,5.255],
"number_observations": 3403,
"number_observations_unique": 829,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 54.100
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
}
]
}