Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "528e82d4e4f6d1cf768916f00613d212",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 44.547,
"b": 47.884,
"c": 70.722,
"alpha": 90.00,
"beta": 90.91,
"gamma": 90.00
},
"wavelengths": [0.92205],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.650,1.290],
"number_observations": 407126,
"number_observations_unique": 68995,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "R(meas)",
"value": 0.086
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 12.400
},
{
"type": "Completeness",
"value": 92.100
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.310,1.290],
"number_observations_unique": 1906,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.644
},
{
"type": "R(meas)",
"value": 2.013
},
{
"type": "R(pim)",
"value": 1.126
},
{
"type": "I/SigI",
"value": 0.300
},
{
"type": "Completeness",
"value": 51.600
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.261
}
]
},
{
"resolution_limits": [39.650,7.070],
"number_observations_unique": 495,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 58.200
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}