Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "372686a74cf9dbb1c16da1052ef6a7cf",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 45.586,
"b": 63.999,
"c": 134.672,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.96860],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.390,2.100],
"number_observations": 161535,
"number_observations_unique": 21507,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.422
},
{
"type": "R(meas)",
"value": 0.455
},
{
"type": "R(pim)",
"value": 0.161
},
{
"type": "I/SigI",
"value": 4.500
},
{
"type": "Completeness",
"value": 91.000
},
{
"type": "Redundancy",
"value": 7.500
},
{
"type": "CC(1/2)",
"value": 0.934
}
]
},
"refln_shells": [
{
"resolution_limits": [2.160,2.100],
"number_observations": 13613,
"number_observations_unique": 1800,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.664
},
{
"type": "R(meas)",
"value": 2.875
},
{
"type": "R(pim)",
"value": 1.026
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 94.100
},
{
"type": "Redundancy",
"value": 7.600
},
{
"type": "CC(1/2)",
"value": 0.333
}
]
},
{
"resolution_limits": [46.390,8.910],
"number_observations": 2009,
"number_observations_unique": 309,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.150
},
{
"type": "R(meas)",
"value": 0.161
},
{
"type": "R(pim)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 11.600
},
{
"type": "Completeness",
"value": 82.100
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.940
}
]
}
]
}