Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b624fc21c6de7bbb32849f50952388c3",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 194.440,
"b": 46.438,
"c": 155.173,
"alpha": 90.0,
"beta": 127.2,
"gamma": 90.0
},
"wavelengths": [0.77490],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.590,3.500],
"number_observations": 103733,
"number_observations_unique": 14413,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.211
},
{
"type": "R(meas)",
"value": 0.229
},
{
"type": "R(pim)",
"value": 0.085
},
{
"type": "I/SigI",
"value": 6.100
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 7.200
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [3.830,3.500],
"number_observations": 19449,
"number_observations_unique": 3408,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.517
},
{
"type": "R(meas)",
"value": 1.664
},
{
"type": "R(pim)",
"value": 0.672
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.619
}
]
},
{
"resolution_limits": [48.590,8.570],
"number_observations": 7130,
"number_observations_unique": 1053,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.083
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 19.300
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}