Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d389ed91b3da0657b27730f89fb955b1",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 37.38,
"b": 74.09,
"c": 63.08,
"alpha": 90.00,
"beta": 96.19,
"gamma": 90.00
},
"wavelengths": [0.92819],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [33.600,1.610],
"number_observations": 145855,
"number_observations_unique": 43891,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "R(meas)",
"value": 0.115
},
{
"type": "R(pim)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 8.100
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.650,1.610],
"number_observations": 10976,
"number_observations_unique": 3240,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.080
},
{
"type": "R(meas)",
"value": 1.285
},
{
"type": "R(pim)",
"value": 0.690
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.528
}
]
},
{
"resolution_limits": [33.600,7.200],
"number_observations": 1638,
"number_observations_unique": 479,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 32.500
},
{
"type": "Completeness",
"value": 89.700
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}