Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "dc4b7ffdf6bc853f6fdc502557195a1c",
"space_group_name": "P 41 21 2",
"unit_cell": {
"a": 171.874,
"b": 171.874,
"c": 99.447,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00003],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [60.820,2.300],
"number_observations": 878402,
"number_observations_unique": 64976,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.160
},
{
"type": "R(meas)",
"value": 0.167
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 14.800
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 13.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.360,2.300],
"number_observations": 37536,
"number_observations_unique": 3790,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.774
},
{
"type": "R(meas)",
"value": 1.868
},
{
"type": "R(pim)",
"value": 0.573
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 82.600
},
{
"type": "Redundancy",
"value": 9.900
},
{
"type": "CC(1/2)",
"value": 0.656
}
]
},
{
"resolution_limits": [60.820,10.540],
"number_observations": 10241,
"number_observations_unique": 809,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 51.500
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 12.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}