Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "39b7cc9612b29d5054fd342604d606b2",
"space_group_name": "P 1",
"unit_cell": {
"a": 44.142,
"b": 50.979,
"c": 92.864,
"alpha": 92.41,
"beta": 103.03,
"gamma": 108.94
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [37.940,1.430],
"number_observations": 932809,
"number_observations_unique": 119395,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 19.700
},
{
"type": "Completeness",
"value": 87.200
},
{
"type": "Redundancy",
"value": 7.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.450,1.430],
"number_observations": 43206,
"number_observations_unique": 5789,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.671
},
{
"type": "R(meas)",
"value": 1.795
},
{
"type": "R(pim)",
"value": 0.651
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 85.500
},
{
"type": "Redundancy",
"value": 7.500
},
{
"type": "CC(1/2)",
"value": 0.754
}
]
},
{
"resolution_limits": [37.940,7.830],
"number_observations": 6472,
"number_observations_unique": 820,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 93.300
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 7.900
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}