Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "00755237554730c26de7d2163ae51f89",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 81.570,
"b": 112.104,
"c": 62.257,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.03300],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [65.960,1.400],
"number_observations": 595358,
"number_observations_unique": 52562,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 24.700
},
{
"type": "Completeness",
"value": 93.200
},
{
"type": "Redundancy",
"value": 11.300
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.420,1.400],
"number_observations": 10735,
"number_observations_unique": 1994,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.276
},
{
"type": "R(meas)",
"value": 1.412
},
{
"type": "R(pim)",
"value": 0.589
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 72.600
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.422
}
]
},
{
"resolution_limits": [65.960,7.670],
"number_observations": 4612,
"number_observations_unique": 402,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.016
},
{
"type": "R(meas)",
"value": 0.016
},
{
"type": "R(pim)",
"value": 0.005
},
{
"type": "I/SigI",
"value": 99.800
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 11.500
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}