Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9699b8f365f74516011a8928932de209",
"space_group_name": "I 4",
"unit_cell": {
"a": 95.555,
"b": 95.555,
"c": 45.799,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92134],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [67.540,1.340],
"number_observations": 547085,
"number_observations_unique": 46437,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "R(meas)",
"value": 0.098
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 14.700
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 11.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.360,1.340],
"number_observations": 11812,
"number_observations_unique": 2217,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.759
},
{
"type": "R(meas)",
"value": 1.959
},
{
"type": "R(pim)",
"value": 0.839
},
{
"type": "I/SigI",
"value": 0.500
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.319
}
]
},
{
"resolution_limits": [67.540,7.340],
"number_observations": 3724,
"number_observations_unique": 308,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 83.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 12.100
},
{
"type": "CC(1/2)",
"value": 0.979
}
]
}
]
}