Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2f150cbe8c06e1a594d8fd7efd4da71b",
"space_group_name": "P 2 21 21",
"unit_cell": {
"a": 40.462,
"b": 45.375,
"c": 73.820,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.03300],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.370,1.400],
"number_observations": 314139,
"number_observations_unique": 27091,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "R(meas)",
"value": 0.103
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 14.700
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 11.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.420,1.400],
"number_observations": 6889,
"number_observations_unique": 1152,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.653
},
{
"type": "R(meas)",
"value": 0.717
},
{
"type": "R(pim)",
"value": 0.287
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 85.400
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.759
}
]
},
{
"resolution_limits": [45.370,7.670],
"number_observations": 2126,
"number_observations_unique": 213,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(meas)",
"value": 0.073
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 27.700
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 10.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}