Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6ba0aeeede2d9dd2e96643b3017cf124",
"space_group_name": "P 41 2 2",
"unit_cell": {
"a": 60.29,
"b": 60.29,
"c": 110.02,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [55.010,1.680],
"number_observations": 303629,
"number_observations_unique": 23883,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "R(meas)",
"value": 0.116
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 12.600
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 12.700
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.720,1.680],
"number_observations": 21242,
"number_observations_unique": 1721,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.464
},
{
"type": "R(meas)",
"value": 2.571
},
{
"type": "R(pim)",
"value": 0.729
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 12.300
},
{
"type": "CC(1/2)",
"value": 0.647
}
]
},
{
"resolution_limits": [55.010,7.510],
"number_observations": 3495,
"number_observations_unique": 344,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 35.400
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 10.200
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}