Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c2eb099295119d4c730e2c944a5c1dfa",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 112.200,
"b": 112.200,
"c": 35.534,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [97.168,1.848],
"number_observations": 266723,
"number_observations_unique": 13749,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.247
},
{
"type": "R(meas)",
"value": 0.254
},
{
"type": "R(pim)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 9.300
},
{
"type": "Completeness",
"value": 91.500
},
{
"type": "Redundancy",
"value": 19.400
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.068,1.848],
"number_observations": 10644,
"number_observations_unique": 686,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.693
},
{
"type": "R(meas)",
"value": 1.751
},
{
"type": "R(pim)",
"value": 0.442
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 65.200
},
{
"type": "Redundancy",
"value": 15.500
},
{
"type": "CC(1/2)",
"value": 0.863
}
]
},
{
"resolution_limits": [97.168,6.039],
"number_observations": 12351,
"number_observations_unique": 685,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "R(meas)",
"value": 0.096
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 23.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 18.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}