Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9e9bb1f433e62db077d5b3df4485c6ef",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 30.994,
"b": 82.335,
"c": 32.362,
"alpha": 90.00,
"beta": 117.85,
"gamma": 90.00
},
"wavelengths": [0.91808],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [41.170,1.330],
"number_observations": 96449,
"number_observations_unique": 29050,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.156
},
{
"type": "R(meas)",
"value": 0.185
},
{
"type": "R(pim)",
"value": 0.099
},
{
"type": "I/SigI",
"value": 4.400
},
{
"type": "Completeness",
"value": 87.700
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.980
}
]
},
"refln_shells": [
{
"resolution_limits": [1.400,1.330],
"number_observations": 6449,
"number_observations_unique": 2431,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.182
},
{
"type": "R(meas)",
"value": 1.454
},
{
"type": "R(pim)",
"value": 0.832
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 50.300
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 0.376
}
]
},
{
"resolution_limits": [41.170,4.200],
"number_observations": 3842,
"number_observations_unique": 1075,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.128
},
{
"type": "R(meas)",
"value": 0.150
},
{
"type": "R(pim)",
"value": 0.078
},
{
"type": "I/SigI",
"value": 8.900
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.977
}
]
}
]
}