Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7b77ba1957187e47485e6fd87f1a7ac6",
"space_group_name": "P 65 2 2",
"unit_cell": {
"a": 80.223,
"b": 80.223,
"c": 139.288,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.92819],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [27.860,1.580],
"number_observations": 715123,
"number_observations_unique": 37220,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 31.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 19.200
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.620,1.580],
"number_observations": 50676,
"number_observations_unique": 2666,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.869
},
{
"type": "R(meas)",
"value": 0.893
},
{
"type": "R(pim)",
"value": 0.201
},
{
"type": "I/SigI",
"value": 3.800
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 19.000
},
{
"type": "CC(1/2)",
"value": 0.891
}
]
},
{
"resolution_limits": [27.860,7.050],
"number_observations": 8789,
"number_observations_unique": 516,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.023
},
{
"type": "R(pim)",
"value": 0.005
},
{
"type": "I/SigI",
"value": 108.100
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 17.000
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}