Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0d705023a0d5cdac6b7c52cfc2e02244",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 58.198,
"b": 125.253,
"c": 60.889,
"alpha": 90.0,
"beta": 117.1,
"gamma": 90.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [32.510,1.800],
"number_observations": 260153,
"number_observations_unique": 69342,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 17.900
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.840,1.800],
"number_observations": 14208,
"number_observations_unique": 3909,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.596
},
{
"type": "R(meas)",
"value": 0.696
},
{
"type": "R(pim)",
"value": 0.358
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 91.500
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.784
}
]
},
{
"resolution_limits": [32.510,9.000],
"number_observations": 2119,
"number_observations_unique": 587,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.016
},
{
"type": "R(meas)",
"value": 0.019
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 64.000
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}