Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a443c051b93b0ecaf3a8611cbd9290a1",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 125.260,
"b": 108.655,
"c": 75.747,
"alpha": 90.00,
"beta": 109.31,
"gamma": 90.00
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [71.490,1.460],
"number_observations": 491746,
"number_observations_unique": 164159,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 10.500
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.540,1.460],
"number_observations": 49708,
"number_observations_unique": 23607,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.212
},
{
"type": "R(meas)",
"value": 1.561
},
{
"type": "R(pim)",
"value": 0.972
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 2.100
},
{
"type": "CC(1/2)",
"value": 0.447
}
]
},
{
"resolution_limits": [71.490,4.610],
"number_observations": 17955,
"number_observations_unique": 5315,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 37.100
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}