Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "af6181f05b7758a0c6d53fadbbea5ef4",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 112.469,
"b": 52.697,
"c": 44.537,
"alpha": 90.00,
"beta": 103.06,
"gamma": 90.00
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.730,1.500],
"number_observations": 129727,
"number_observations_unique": 40199,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "R(meas)",
"value": 0.116
},
{
"type": "R(pim)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 6.200
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.520,1.500],
"number_observations": 4250,
"number_observations_unique": 1883,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.372
},
{
"type": "R(meas)",
"value": 1.712
},
{
"type": "R(pim)",
"value": 1.010
},
{
"type": "I/SigI",
"value": 0.500
},
{
"type": "Completeness",
"value": 93.900
},
{
"type": "Redundancy",
"value": 2.300
},
{
"type": "CC(1/2)",
"value": 0.343
}
]
},
{
"resolution_limits": [54.730,8.210],
"number_observations": 1019,
"number_observations_unique": 277,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 30.800
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}