Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "cfb6a4d1bd71411fc50886679e6a55d1",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 182.158,
"b": 121.827,
"c": 210.555,
"alpha": 90.00,
"beta": 100.02,
"gamma": 90.00
},
"wavelengths": [1.03300],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.700,3.110],
"number_observations": 163220,
"number_observations_unique": 64385,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "R(meas)",
"value": 0.121
},
{
"type": "R(pim)",
"value": 0.071
},
{
"type": "I/SigI",
"value": 8.000
},
{
"type": "Completeness",
"value": 79.200
},
{
"type": "Redundancy",
"value": 2.500
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [3.190,3.110],
"number_observations": 4296,
"number_observations_unique": 2708,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.381
},
{
"type": "R(meas)",
"value": 1.950
},
{
"type": "R(pim)",
"value": 1.377
},
{
"type": "I/SigI",
"value": 0.400
},
{
"type": "Completeness",
"value": 45.500
},
{
"type": "Redundancy",
"value": 1.600
},
{
"type": "CC(1/2)",
"value": 0.249
}
]
},
{
"resolution_limits": [48.700,13.910],
"number_observations": 2510,
"number_observations_unique": 873,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 37.500
},
{
"type": "Completeness",
"value": 91.500
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}