Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4724edbb8790bd88b44780cdbc471cde",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 83.15,
"b": 31.64,
"c": 114.89,
"alpha": 90.00,
"beta": 105.23,
"gamma": 90.00
},
"wavelengths": [0.97945],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [37.510,1.950],
"number_observations": 73611,
"number_observations_unique": 21342,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "R(meas)",
"value": 0.099
},
{
"type": "R(pim)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 11.200
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.000,1.950],
"number_observations": 3573,
"number_observations_unique": 1397,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.842
},
{
"type": "R(meas)",
"value": 1.046
},
{
"type": "R(pim)",
"value": 0.611
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 94.500
},
{
"type": "Redundancy",
"value": 2.600
},
{
"type": "CC(1/2)",
"value": 0.623
}
]
},
{
"resolution_limits": [37.510,8.940],
"number_observations": 773,
"number_observations_unique": 253,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 33.500
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}