Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f9007f160db107489c11abe1b8862922",
"space_group_name": "P 1",
"unit_cell": {
"a": 59.115,
"b": 70.113,
"c": 85.100,
"alpha": 102.69,
"beta": 95.96,
"gamma": 112.44
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [81.250,1.970],
"number_observations": 279192,
"number_observations_unique": 82028,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.101
},
{
"type": "R(meas)",
"value": 0.121
},
{
"type": "R(pim)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 6.700
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.972
}
]
},
"refln_shells": [
{
"resolution_limits": [2.010,1.970],
"number_observations": 13795,
"number_observations_unique": 4390,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.872
},
{
"type": "R(meas)",
"value": 2.268
},
{
"type": "R(pim)",
"value": 1.256
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 89.700
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.313
}
]
},
{
"resolution_limits": [81.250,10.050],
"number_observations": 2404,
"number_observations_unique": 632,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 29.100
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.920
}
]
}
]
}