Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a343f9fb7023ece86857da92beec49e4",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 80.277,
"b": 49.437,
"c": 116.172,
"alpha": 90.0,
"beta": 94.8,
"gamma": 90.0
},
"wavelengths": [0.91790],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [115.780,1.980],
"number_observations": 220294,
"number_observations_unique": 63659,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.127
},
{
"type": "R(meas)",
"value": 0.151
},
{
"type": "R(pim)",
"value": 0.080
},
{
"type": "I/SigI",
"value": 10.600
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.941
}
]
},
"refln_shells": [
{
"resolution_limits": [2.030,1.980],
"number_observations": 15774,
"number_observations_unique": 4414,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.640
},
{
"type": "R(meas)",
"value": 1.935
},
{
"type": "R(pim)",
"value": 1.017
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 95.100
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.342
}
]
},
{
"resolution_limits": [115.780,8.850],
"number_observations": 2429,
"number_observations_unique": 792,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "R(meas)",
"value": 0.111
},
{
"type": "R(pim)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 50.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.844
}
]
}
]
}