Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5af3de0ba99e67db12e48d63b5d16279",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 102.377,
"b": 34.969,
"c": 68.107,
"alpha": 90.00,
"beta": 97.54,
"gamma": 90.00
},
"wavelengths": [0.91165],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.390,2.310],
"number_observations": 36134,
"number_observations_unique": 10549,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 9.000
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [2.390,2.310],
"number_observations": 3526,
"number_observations_unique": 1001,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.463
},
{
"type": "R(meas)",
"value": 1.719
},
{
"type": "R(pim)",
"value": 0.895
},
{
"type": "I/SigI",
"value": 0.600
},
{
"type": "Completeness",
"value": 95.100
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.415
}
]
},
{
"resolution_limits": [43.390,8.930],
"number_observations": 582,
"number_observations_unique": 199,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.016
},
{
"type": "R(meas)",
"value": 0.020
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 28.700
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}