Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "55cc3ad686e7e26a9dde6a4e048cc303",
"space_group_name": "P 41 21 2",
"unit_cell": {
"a": 79.84,
"b": 79.84,
"c": 91.93,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [56.460,1.780],
"number_observations": 766387,
"number_observations_unique": 29166,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 27.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 26.300
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.830,1.780],
"number_observations": 55370,
"number_observations_unique": 2098,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.686
},
{
"type": "R(meas)",
"value": 2.739
},
{
"type": "R(pim)",
"value": 0.530
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 26.400
},
{
"type": "CC(1/2)",
"value": 0.624
}
]
},
{
"resolution_limits": [56.460,7.960],
"number_observations": 8406,
"number_observations_unique": 405,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(meas)",
"value": 0.021
},
{
"type": "R(pim)",
"value": 0.005
},
{
"type": "I/SigI",
"value": 94.200
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 20.800
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}