Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ac935e0769e2339a2af4f4d0dd5aae63",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 127.688,
"b": 45.389,
"c": 83.411,
"alpha": 90.00,
"beta": 102.16,
"gamma": 90.00
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.4670,1.570],
"number_observations": 223335,
"number_observations_unique": 59839,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(meas)",
"value": 0.074
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 12.100
},
{
"type": "Completeness",
"value": 91.400
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.610,1.570],
"number_observations": 16803,
"number_observations_unique": 4494,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.672
},
{
"type": "R(meas)",
"value": 0.783
},
{
"type": "R(pim)",
"value": 0.400
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 93.200
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.681
}
]
},
{
"resolution_limits": [28.470,7.020],
"number_observations": 2653,
"number_observations_unique": 759,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 35.800
},
{
"type": "Completeness",
"value": 95.900
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}