Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a8096bba2be8ee67dc1ef21ba0402486",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 55.536,
"b": 56.167,
"c": 101.674,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.020,1.890],
"number_observations": 172124,
"number_observations_unique": 26177,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "R(meas)",
"value": 0.098
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 15.300
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.940,1.890],
"number_observations": 12243,
"number_observations_unique": 1885,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.851
},
{
"type": "R(meas)",
"value": 0.925
},
{
"type": "R(pim)",
"value": 0.357
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.848
}
]
},
{
"resolution_limits": [29.020,8.440],
"number_observations": 2069,
"number_observations_unique": 345,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 54.100
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}