Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "574acc1aed4d525f3572482b2f7345bd",
"space_group_name": "P 61 2 2",
"unit_cell": {
"a": 76.141,
"b": 76.141,
"c": 230.850,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.03320],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.430,1.910],
"number_observations": 475077,
"number_observations_unique": 30911,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.147
},
{
"type": "R(meas)",
"value": 0.151
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 13.100
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 15.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.960,1.910],
"number_observations": 2809,
"number_observations_unique": 1408,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.786
},
{
"type": "R(meas)",
"value": 1.008
},
{
"type": "R(pim)",
"value": 0.620
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 69.300
},
{
"type": "Redundancy",
"value": 2.000
},
{
"type": "CC(1/2)",
"value": 0.685
}
]
},
{
"resolution_limits": [43.430,8.980],
"number_observations": 5925,
"number_observations_unique": 407,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 36.100
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 14.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}