Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "94ecdd4d07b6c65cbed5b442af59e65a",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 57.520,
"b": 93.750,
"c": 93.605,
"alpha": 90.00,
"beta": 108.18,
"gamma": 90.00
},
"wavelengths": [0.92819],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [93.750,1.950],
"number_observations": 234136,
"number_observations_unique": 68122,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(meas)",
"value": 0.093
},
{
"type": "R(pim)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 10.700
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.000,1.950],
"number_observations": 17603,
"number_observations_unique": 5046,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.173
},
{
"type": "R(meas)",
"value": 1.386
},
{
"type": "R(pim)",
"value": 0.731
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.568
}
]
},
{
"resolution_limits": [93.750,8.720],
"number_observations": 2751,
"number_observations_unique": 791,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 40.100
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}