Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b83e537e6792e0ede13e90863b9eb436",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 82.456,
"b": 96.798,
"c": 57.973,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.990,1.700],
"number_observations": 170451,
"number_observations_unique": 25931,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 17.600
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.730,1.700],
"number_observations": 8076,
"number_observations_unique": 1360,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.009
},
{
"type": "R(meas)",
"value": 1.105
},
{
"type": "R(pim)",
"value": 0.440
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 93.100
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.742
}
]
},
{
"resolution_limits": [28.990,8.650],
"number_observations": 1430,
"number_observations_unique": 232,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 53.500
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}