Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ec68bc807d0b7c82220bbd3fe9c873a6",
"space_group_name": "I 2 3",
"unit_cell": {
"a": 110.37,
"b": 110.37,
"c": 110.37,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97895],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.060,2.040],
"number_observations_unique": 27621,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.136
},
{
"type": "R(meas)",
"value": 0.140
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 15.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 21.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.090,2.040],
"number_observations": 24214,
"number_observations_unique": 1056,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.595
},
{
"type": "R(meas)",
"value": 1.631
},
{
"type": "R(pim)",
"value": 0.340
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 22.900
},
{
"type": "CC(1/2)",
"value": 0.663
}
]
},
{
"resolution_limits": [45.060,9.130],
"number_observations": 3292,
"number_observations_unique": 188,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 40.800
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 17.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}