Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "bb339ddf24ac949d39719c707daecfd2",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 53.474,
"b": 68.861,
"c": 57.089,
"alpha": 90.00,
"beta": 92.42,
"gamma": 90.00
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [53.430,1.530],
"number_observations": 193379,
"number_observations_unique": 61628,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 12.300
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.620,1.530],
"number_observations": 20901,
"number_observations_unique": 8672,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.889
},
{
"type": "R(meas)",
"value": 1.122
},
{
"type": "R(pim)",
"value": 0.675
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 2.400
},
{
"type": "CC(1/2)",
"value": 0.431
}
]
},
{
"resolution_limits": [53.430,4.850],
"number_observations": 6788,
"number_observations_unique": 2032,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.019
},
{
"type": "R(meas)",
"value": 0.022
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 49.200
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}