Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "277dc2a1d3187f321348400d77d9f2d5",
"space_group_name": "P 1 2 1",
"unit_cell": {
"a": 45.537,
"b": 38.014,
"c": 137.230,
"alpha": 90.00,
"beta": 92.94,
"gamma": 90.00
},
"wavelengths": [0.97857],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [68.520,1.790],
"number_observations": 163593,
"number_observations_unique": 44791,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 14.000
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.880,1.790],
"number_observations": 23941,
"number_observations_unique": 6503,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.355
},
{
"type": "R(meas)",
"value": 0.416
},
{
"type": "R(pim)",
"value": 0.214
},
{
"type": "I/SigI",
"value": 2.600
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.975
}
]
},
{
"resolution_limits": [68.520,5.650],
"number_observations": 5035,
"number_observations_unique": 1505,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 37.900
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}