Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "41447f6327cbfd305cdaeac1a726b953",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 27.098,
"b": 66.638,
"c": 39.288,
"alpha": 90.00,
"beta": 106.79,
"gamma": 90.00
},
"wavelengths": [0.97910],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [66.640,1.580],
"number_observations": 33460,
"number_observations_unique": 17759,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.109
},
{
"type": "R(pim)",
"value": 0.077
},
{
"type": "I/SigI",
"value": 9.400
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 1.900
},
{
"type": "CC(1/2)",
"value": 0.921
}
]
},
"refln_shells": [
{
"resolution_limits": [1.610,1.580],
"number_observations": 1691,
"number_observations_unique": 867,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.421
},
{
"type": "R(meas)",
"value": 0.595
},
{
"type": "R(pim)",
"value": 0.421
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 2.000
},
{
"type": "CC(1/2)",
"value": 0.636
}
]
},
{
"resolution_limits": [66.640,8.650],
"number_observations": 210,
"number_observations_unique": 120,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.014
},
{
"type": "R(meas)",
"value": 0.020
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 28.100
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 1.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}