Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9f1bc699ba95c4a5a57e2ea545b0eec7",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 116.906,
"b": 64.173,
"c": 74.832,
"alpha": 90.00,
"beta": 126.12,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.670,1.770],
"number_observations": 165990,
"number_observations_unique": 42898,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 10.900
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.800,1.770],
"number_observations": 8463,
"number_observations_unique": 2215,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.530
},
{
"type": "R(meas)",
"value": 0.613
},
{
"type": "R(pim)",
"value": 0.305
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 89.300
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.866
}
]
},
{
"resolution_limits": [48.670,9.020],
"number_observations": 1279,
"number_observations_unique": 345,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 27.500
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}