Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "cbc29100ecfb48f7e22f92c4a2ccec5f",
"space_group_name": "P 31 2 1",
"unit_cell": {
"a": 53.681,
"b": 53.681,
"c": 204.450,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.490,2.300],
"number_observations": 127072,
"number_observations_unique": 16043,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 15.600
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 7.900
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.380,2.300],
"number_observations": 12370,
"number_observations_unique": 1531,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.251
},
{
"type": "R(meas)",
"value": 1.336
},
{
"type": "R(pim)",
"value": 0.463
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 8.100
},
{
"type": "CC(1/2)",
"value": 0.938
}
]
},
{
"resolution_limits": [46.490,8.910],
"number_observations": 2100,
"number_observations_unique": 345,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 42.500
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}