Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "61c0a8b43cf6bb5a5c90745c231cc713",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 26.230,
"b": 47.164,
"c": 46.441,
"alpha": 90.00,
"beta": 103.41,
"gamma": 90.00
},
"wavelengths": [1.11583],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.160,1.590],
"number_observations": 45091,
"number_observations_unique": 14571,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "R(meas)",
"value": 0.098
},
{
"type": "R(pim)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 8.100
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.620,1.590],
"number_observations": 1963,
"number_observations_unique": 702,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.587
},
{
"type": "R(meas)",
"value": 0.716
},
{
"type": "R(pim)",
"value": 0.405
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 94.800
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.715
}
]
},
{
"resolution_limits": [47.160,8.710],
"number_observations": 312,
"number_observations_unique": 98,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 23.100
},
{
"type": "Completeness",
"value": 95.900
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}