Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6b290b8886f76b010ae547df5d6dc60d",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 73.703,
"b": 114.873,
"c": 121.044,
"alpha": 90.00,
"beta": 100.56,
"gamma": 90.00
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [82.650,2.4],
"number_observations_unique": 126441,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "R(meas)",
"value": 0.110
},
{
"type": "R(pim)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 7.500
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.150,2.040],
"number_observations_unique": 18416,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.900
},
{
"type": "R(meas)",
"value": 2.256
},
{
"type": "R(pim)",
"value": 1.206
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.474
}
]
},
{
"resolution_limits": [82.650,6.440],
"number_observations_unique": 4082,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}