Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0933b46883103deba50071c7a2f67624",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 39.74,
"b": 102.30,
"c": 75.09,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.77120],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.270,1.900],
"number_observations_unique": 12135,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "R(meas)",
"value": 0.095
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 21.600
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 23.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.940,1.900],
"number_observations": 15642,
"number_observations_unique": 692,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.420
},
{
"type": "R(meas)",
"value": 1.452
},
{
"type": "R(pim)",
"value": 0.296
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 92.300
},
{
"type": "Redundancy",
"value": 22.600
},
{
"type": "CC(1/2)",
"value": 0.841
}
]
},
{
"resolution_limits": [42.270,9.110],
"number_observations": 3124,
"number_observations_unique": 140,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 62.100
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 22.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}