Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7d384fbb05aa847376846e13305f4cf3",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 137.840,
"b": 65.385,
"c": 84.327,
"alpha": 90.00,
"beta": 93.49,
"gamma": 90.00
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [68.790,1.950],
"number_observations": 180460,
"number_observations_unique": 54683,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.160
},
{
"type": "R(meas)",
"value": 0.191
},
{
"type": "R(pim)",
"value": 0.103
},
{
"type": "I/SigI",
"value": 5.100
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
"refln_shells": [
{
"resolution_limits": [2.000,1.950],
"number_observations": 12077,
"number_observations_unique": 4032,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.987
},
{
"type": "R(meas)",
"value": 1.205
},
{
"type": "R(pim)",
"value": 0.683
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.422
}
]
},
{
"resolution_limits": [68.790,8.720],
"number_observations": 2183,
"number_observations_unique": 665,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 15.000
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}