Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "94609a587aba942698ac265ca589c86a",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 67.659,
"b": 101.940,
"c": 101.950,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.35502],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [72.090,2.090],
"number_observations": 261016,
"number_observations_unique": 41380,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.161
},
{
"type": "R(meas)",
"value": 0.176
},
{
"type": "R(pim)",
"value": 0.070
},
{
"type": "I/SigI",
"value": 10.000
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.200,2.090],
"number_observations": 40357,
"number_observations_unique": 6123,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.013
},
{
"type": "R(meas)",
"value": 1.099
},
{
"type": "R(pim)",
"value": 0.421
},
{
"type": "I/SigI",
"value": 2.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.823
}
]
},
{
"resolution_limits": [72.090,6.600],
"number_observations": 9309,
"number_observations_unique": 1505,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 26.500
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}