Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "cea77b7ece717ecc816b6fa922961ee0",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 82.175,
"b": 96.928,
"c": 57.978,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [30.0690,1.780],
"number_observations": 144825,
"number_observations_unique": 22220,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 17.100
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.820,1.780],
"number_observations": 5674,
"number_observations_unique": 1054,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.811
},
{
"type": "R(meas)",
"value": 0.894
},
{
"type": "R(pim)",
"value": 0.366
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 82.500
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.827
}
]
},
{
"resolution_limits": [30.070,9.090],
"number_observations": 1203,
"number_observations_unique": 197,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 49.300
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}