Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "41f1fc9d7424314f037306b3d35abc87",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 81.11,
"b": 81.11,
"c": 134.38,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [30.310,1.680],
"number_observations": 1082951,
"number_observations_unique": 58778,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "R(meas)",
"value": 0.097
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 18.500
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 18.400
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.720,1.680],
"number_observations": 64097,
"number_observations_unique": 4309,
"quality_factors": [
{
"type": "R(merge)",
"value": 4.282
},
{
"type": "R(meas)",
"value": 4.433
},
{
"type": "R(pim)",
"value": 1.129
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 14.900
},
{
"type": "CC(1/2)",
"value": 0.323
}
]
},
{
"resolution_limits": [30.310,7.510],
"number_observations": 10458,
"number_observations_unique": 740,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 58.500
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 14.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}