Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "49ae4f21d1f3b36cebba4761e3af89a3",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 29.120,
"b": 32.034,
"c": 59.573,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [32.030,0.940],
"number_observations": 210908,
"number_observations_unique": 36440,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 24.500
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [0.990,0.940],
"number_observations": 20767,
"number_observations_unique": 5072,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.540
},
{
"type": "R(meas)",
"value": 0.619
},
{
"type": "R(pim)",
"value": 0.295
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.745
}
]
},
{
"resolution_limits": [32.030,2.980],
"number_observations": 7199,
"number_observations_unique": 1287,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 53.600
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}