Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1d006a6e74891e71de8488bef855824a",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 109.605,
"b": 136.421,
"c": 110.022,
"alpha": 90.00,
"beta": 112.37,
"gamma": 90.00
},
"wavelengths": [0.87313],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.67,2.09],
"number_observations_unique": 88942,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.151
},
{
"type": "R(meas)",
"value": 0.179
},
{
"type": "R(pim)",
"value": 0.096
},
{
"type": "I/SigI",
"value": 6.600
},
{
"type": "Completeness",
"value": 92.500
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
"refln_shells": [
{
"resolution_limits": [2.407,2.093],
"number_observations": 15880,
"number_observations_unique": 4447,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.821
},
{
"type": "R(meas)",
"value": 0.968
},
{
"type": "R(pim)",
"value": 0.510
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 65.500
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.467
}
]
},
{
"resolution_limits": [101.744,7.172],
"number_observations": 14495,
"number_observations_unique": 4447,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 15.800
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}