Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f009ea70e951c6faf2b52ce10cc0bdb3",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 127.522,
"b": 45.290,
"c": 83.192,
"alpha": 90.00,
"beta": 102.48,
"gamma": 90.00
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.360,1.700],
"number_observations": 172943,
"number_observations_unique": 50419,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 14.600
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.740,1.700],
"number_observations": 12868,
"number_observations_unique": 3702,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.715
},
{
"type": "R(meas)",
"value": 0.848
},
{
"type": "R(pim)",
"value": 0.449
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.649
}
]
},
{
"resolution_limits": [28.360,7.610],
"number_observations": 2033,
"number_observations_unique": 604,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 54.500
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}