Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "022ef7cda07779c29067cf5ddf3949de",
"space_group_name": "P 31 2 1",
"unit_cell": {
"a": 94.199,
"b": 94.199,
"c": 33.088,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [81.580,2.150],
"number_observations": 156460,
"number_observations_unique": 9370,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.177
},
{
"type": "R(meas)",
"value": 0.183
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 13.500
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 16.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.210,2.150],
"number_observations": 10518,
"number_observations_unique": 752,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.489
},
{
"type": "R(meas)",
"value": 1.545
},
{
"type": "R(pim)",
"value": 0.406
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 14.000
},
{
"type": "CC(1/2)",
"value": 0.617
}
]
},
{
"resolution_limits": [81.580,9.120],
"number_observations": 1898,
"number_observations_unique": 143,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 36.700
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 13.300
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}