Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3a0f6d73546add9369208be1a9ea0ac0",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 53.73,
"b": 68.50,
"c": 56.95,
"alpha": 90.00,
"beta": 92.44,
"gamma": 90.00
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [53.680,1.430],
"number_observations": 215570,
"number_observations_unique": 75011,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.089
},
{
"type": "R(pim)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 9.900
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.470,1.430],
"number_observations": 10436,
"number_observations_unique": 5273,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.713
},
{
"type": "R(meas)",
"value": 0.949
},
{
"type": "R(pim)",
"value": 0.620
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 94.200
},
{
"type": "Redundancy",
"value": 2.000
},
{
"type": "CC(1/2)",
"value": 0.521
}
]
},
{
"resolution_limits": [53.680,6.400],
"number_observations": 2827,
"number_observations_unique": 892,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 32.500
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}