Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "707aefcf47b09540871bcc4042371c41",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 48.30,
"b": 61.09,
"c": 65.87,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92819],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [38.950,1.990],
"number_observations": 88769,
"number_observations_unique": 13901,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.084
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 15.400
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.040,1.990],
"number_observations": 6821,
"number_observations_unique": 1020,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.668
},
{
"type": "R(meas)",
"value": 0.724
},
{
"type": "R(pim)",
"value": 0.278
},
{
"type": "I/SigI",
"value": 3.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.724
}
]
},
{
"resolution_limits": [38.950,8.900],
"number_observations": 1048,
"number_observations_unique": 193,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 46.800
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}