Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "549db3717a052e7c7ee3cd0be8e29745",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 66.85,
"b": 90.72,
"c": 99.14,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.900,1.670],
"number_observations": 445927,
"number_observations_unique": 35303,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "R(meas)",
"value": 0.097
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 15.700
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 12.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.710,1.670],
"number_observations": 28194,
"number_observations_unique": 2578,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.718
},
{
"type": "R(meas)",
"value": 1.804
},
{
"type": "R(pim)",
"value": 0.541
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 10.900
},
{
"type": "CC(1/2)",
"value": 0.595
}
]
},
{
"resolution_limits": [29.900,7.470],
"number_observations": 4278,
"number_observations_unique": 431,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 42.500
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 9.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}