Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "aea6d8049607b7750826a26b60e63da2",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 53.780,
"b": 68.305,
"c": 57.163,
"alpha": 90.00,
"beta": 92.58,
"gamma": 90.00
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [68.300,1.520],
"number_observations": 192427,
"number_observations_unique": 62756,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "R(meas)",
"value": 0.092
},
{
"type": "R(pim)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 8.800
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.560,1.520],
"number_observations": 10057,
"number_observations_unique": 4391,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.828
},
{
"type": "R(meas)",
"value": 1.063
},
{
"type": "R(pim)",
"value": 0.657
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 93.600
},
{
"type": "Redundancy",
"value": 2.300
},
{
"type": "CC(1/2)",
"value": 0.364
}
]
},
{
"resolution_limits": [68.300,6.800],
"number_observations": 2437,
"number_observations_unique": 753,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "R(meas)",
"value": 0.024
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 30.000
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}