Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "21aff3730c792a332c7544e77a8e1eec",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 61.123,
"b": 45.080,
"c": 98.028,
"alpha": 90.00,
"beta": 90.06,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [98.030,1.798],
"number_observations_unique": 26848,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.482
},
{
"type": "R(meas)",
"value": 0.532
},
{
"type": "R(pim)",
"value": 0.221
},
{
"type": "I/SigI",
"value": 7.500
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.919
}
]
},
"refln_shells": [
{
"resolution_limits": [2.940,1.798],
"number_observations": 12764,
"number_observations_unique": 1970,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.178
},
{
"type": "R(meas)",
"value": 1.285
},
{
"type": "R(pim)",
"value": 0.508
},
{
"type": "I/SigI",
"value": 4.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.693
}
]
},
{
"resolution_limits": [98.030,2.940],
"number_observations": 2088,
"number_observations_unique": 457,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
"value": 0.093
},
{
"type": "R(pim)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 11.700
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 4.600
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
}
]
}