Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e61b3453c7726a2f05f4476513b7e2bc",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 82.172,
"b": 96.294,
"c": 57.804,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.900,1.900],
"number_observations": 117968,
"number_observations_unique": 18260,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "R(meas)",
"value": 0.092
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 15.000
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.950,1.900],
"number_observations": 6494,
"number_observations_unique": 1111,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.903
},
{
"type": "R(meas)",
"value": 0.986
},
{
"type": "R(pim)",
"value": 0.389
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 85.600
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.737
}
]
},
{
"resolution_limits": [28.900,8.700],
"number_observations": 1333,
"number_observations_unique": 223,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 47.400
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}