Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "1f26117fc25ae8d14a33134c1bda71ce",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 55.473,
"b": 83.479,
"c": 59.046,
"alpha": 90.0,
"beta": 108.2,
"gamma": 90.0
},
"wavelengths": [0.92202],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.550,1.520],
"number_observations": 415896,
"number_observations_unique": 74844,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "R(meas)",
"value": 0.091
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 11.700
},
{
"type": "Completeness",
"value": 95.400
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [1.550,1.520],
"number_observations": 5543,
"number_observations_unique": 2440,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.369
},
{
"type": "R(meas)",
"value": 1.814
},
{
"type": "R(pim)",
"value": 1.170
},
{
"type": "I/SigI",
"value": 0.500
},
{
"type": "Completeness",
"value": 63.600
},
{
"type": "Redundancy",
"value": 2.300
},
{
"type": "CC(1/2)",
"value": 0.571
}
]
},
{
"resolution_limits": [46.550,8.320],
"number_observations": 3099,
"number_observations_unique": 504,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "R(meas)",
"value": 0.107
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 41.800
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.970
}
]
}
]
}