Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8c5ed877d4175683978ccca625a1e5df",
"space_group_name": "P 61 2 2",
"unit_cell": {
"a": 67.62,
"b": 67.62,
"c": 166.50,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.96860],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [33.930,1.850],
"number_observations": 182415,
"number_observations_unique": 19856,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.119
},
{
"type": "R(meas)",
"value": 0.126
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 10.000
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 9.200
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [1.890,1.850],
"number_observations": 11292,
"number_observations_unique": 1218,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.718
},
{
"type": "R(meas)",
"value": 0.759
},
{
"type": "R(pim)",
"value": 0.242
},
{
"type": "I/SigI",
"value": 3.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.300
},
{
"type": "CC(1/2)",
"value": 0.878
}
]
},
{
"resolution_limits": [33.930,9.060],
"number_observations": 1589,
"number_observations_unique": 210,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.117
},
{
"type": "R(meas)",
"value": 0.125
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 16.600
},
{
"type": "Completeness",
"value": 94.700
},
{
"type": "Redundancy",
"value": 7.600
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
}
]
}