Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b754f1bfd1100e267fb1acfff157c8f8",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 42.329,
"b": 41.461,
"c": 72.146,
"alpha": 90.00,
"beta": 104.32,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [41.460,1.430],
"number_observations": 396323,
"number_observations_unique": 45063,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(meas)",
"value": 0.075
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 16.400
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 8.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.450,1.430],
"number_observations": 9765,
"number_observations_unique": 1992,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.291
},
{
"type": "R(meas)",
"value": 0.324
},
{
"type": "R(pim)",
"value": 0.141
},
{
"type": "I/SigI",
"value": 2.600
},
{
"type": "Completeness",
"value": 87.300
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.937
}
]
},
{
"resolution_limits": [41.460,7.680],
"number_observations": 2673,
"number_observations_unique": 322,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 34.600
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 8.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}