Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "75f57f8f2f60a3499a0e56fe03da2c8a",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 127.578,
"b": 45.327,
"c": 83.288,
"alpha": 90.00,
"beta": 102.28,
"gamma": 90.00
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.410,1.980],
"number_observations": 108494,
"number_observations_unique": 30321,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.134
},
{
"type": "R(meas)",
"value": 0.158
},
{
"type": "R(pim)",
"value": 0.083
},
{
"type": "I/SigI",
"value": 8.700
},
{
"type": "Completeness",
"value": 92.500
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
"refln_shells": [
{
"resolution_limits": [2.030,1.980],
"number_observations": 7372,
"number_observations_unique": 2144,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.848
},
{
"type": "R(meas)",
"value": 1.004
},
{
"type": "R(pim)",
"value": 0.531
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 90.100
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.517
}
]
},
{
"resolution_limits": [28.410,8.840],
"number_observations": 1321,
"number_observations_unique": 387,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 35.700
},
{
"type": "Completeness",
"value": 95.400
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}