Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0d72d523c9666e21dac8c6b14fdcf9d3",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 30.950,
"b": 81.647,
"c": 32.097,
"alpha": 90.00,
"beta": 117.72,
"gamma": 90.00
},
"wavelengths": [0.91808],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.820,1.110],
"number_observations": 139311,
"number_observations_unique": 52393,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "R(meas)",
"value": 0.112
},
{
"type": "R(pim)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 5.800
},
{
"type": "Completeness",
"value": 94.100
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [1.170,1.110],
"number_observations": 9618,
"number_observations_unique": 6191,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.873
},
{
"type": "R(meas)",
"value": 1.179
},
{
"type": "R(pim)",
"value": 0.787
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 76.500
},
{
"type": "Redundancy",
"value": 1.600
},
{
"type": "CC(1/2)",
"value": 0.400
}
]
},
{
"resolution_limits": [40.820,3.510],
"number_observations": 5655,
"number_observations_unique": 1791,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 18.500
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
}
]
}