Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "69c21b603a474bba68c455d1be1b2df1",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 127.62,
"b": 45.48,
"c": 83.42,
"alpha": 90.00,
"beta": 102.15,
"gamma": 90.00
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.020,2.050],
"number_observations": 98823,
"number_observations_unique": 29089,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "R(meas)",
"value": 0.109
},
{
"type": "R(pim)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 11.800
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.100,2.050],
"number_observations": 6630,
"number_observations_unique": 2111,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.577
},
{
"type": "R(meas)",
"value": 0.698
},
{
"type": "R(pim)",
"value": 0.386
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.715
}
]
},
{
"resolution_limits": [39.020,9.170],
"number_observations": 1189,
"number_observations_unique": 356,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 43.500
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}