Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3e34440bd48b1c29ecfdd195e5e8540d",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 50.898,
"b": 81.706,
"c": 110.024,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.98000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.190,1.900],
"number_observations": 181802,
"number_observations_unique": 36900,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.139
},
{
"type": "R(meas)",
"value": 0.156
},
{
"type": "R(pim)",
"value": 0.070
},
{
"type": "I/SigI",
"value": 7.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
"refln_shells": [
{
"resolution_limits": [1.940,1.900],
"number_observations": 11345,
"number_observations_unique": 2304,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.952
},
{
"type": "R(meas)",
"value": 1.073
},
{
"type": "R(pim)",
"value": 0.485
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.696
}
]
},
{
"resolution_limits": [46.190,9.110],
"number_observations": 1702,
"number_observations_unique": 394,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 20.800
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
}
]
}