Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "27ce6ba4c897edaf23c1cb8741b16dff",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 46.80,
"b": 50.11,
"c": 66.64,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.95366],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [38.300,1.786],
"number_observations_unique": 15471,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.126
},
{
"type": "R(meas)",
"value": 0.130
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 16.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.900
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.820,1.790],
"number_observations": 11467,
"number_observations_unique": 864,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.257
},
{
"type": "R(meas)",
"value": 0.267
},
{
"type": "R(pim)",
"value": 0.073
},
{
"type": "I/SigI",
"value": 8.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.300
},
{
"type": "CC(1/2)",
"value": 0.979
}
]
},
{
"resolution_limits": [38.300,9.110],
"number_observations": 1468,
"number_observations_unique": 152,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "R(meas)",
"value": 0.111
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 18.600
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 9.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}