Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a56465459f220638e8b340d580327c16",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 81.61,
"b": 27.05,
"c": 55.73,
"alpha": 90.00,
"beta": 100.26,
"gamma": 90.00
},
"wavelengths": [0.97622],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.840,1.460],
"number_observations": 65393,
"number_observations_unique": 21080,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 11.700
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.500,1.460],
"number_observations": 3936,
"number_observations_unique": 1552,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.905
},
{
"type": "R(meas)",
"value": 1.145
},
{
"type": "R(pim)",
"value": 0.692
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 2.500
},
{
"type": "CC(1/2)",
"value": 0.537
}
]
},
{
"resolution_limits": [54.840,6.530],
"number_observations": 780,
"number_observations_unique": 265,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.018
},
{
"type": "R(meas)",
"value": 0.022
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 41.500
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}