Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e4e7ce648ead91e812f456e31e249f70",
"space_group_name": "P 62 2 2",
"unit_cell": {
"a": 97.533,
"b": 97.533,
"c": 140.229,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97625],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [140.230,1.8370],
"number_observations_unique": 35046,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 26.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 19.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.050,1.840],
"number_observations": 192608,
"number_observations_unique": 9753,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.974
},
{
"type": "R(meas)",
"value": 1.000
},
{
"type": "R(pim)",
"value": 0.223
},
{
"type": "I/SigI",
"value": 3.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 19.700
},
{
"type": "CC(1/2)",
"value": 0.952
}
]
},
{
"resolution_limits": [140.230,4.110],
"number_observations": 60280,
"number_observations_unique": 3429,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 70.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 17.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}