Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5c630e2da7d824c8ee04bec98e440026",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 138.683,
"b": 65.619,
"c": 84.474,
"alpha": 90.00,
"beta": 93.29,
"gamma": 90.00
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [69.230,1.670],
"number_observations": 272491,
"number_observations_unique": 88016,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.090
},
{
"type": "R(pim)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 8.700
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.760,1.670],
"number_observations": 28807,
"number_observations_unique": 12640,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.926
},
{
"type": "R(meas)",
"value": 1.188
},
{
"type": "R(pim)",
"value": 0.735
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 2.300
},
{
"type": "CC(1/2)",
"value": 0.445
}
]
},
{
"resolution_limits": [69.230,5.270],
"number_observations": 9751,
"number_observations_unique": 2908,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 32.700
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}