Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1b9477ef4ee97f0e2b3acb95d42abdac",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 138.139,
"b": 65.768,
"c": 84.530,
"alpha": 90.00,
"beta": 93.79,
"gamma": 90.00
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [84.340,1.750],
"number_observations": 244771,
"number_observations_unique": 76300,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.121
},
{
"type": "R(meas)",
"value": 0.145
},
{
"type": "R(pim)",
"value": 0.079
},
{
"type": "I/SigI",
"value": 6.900
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [1.840,1.750],
"number_observations": 29219,
"number_observations_unique": 11077,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.024
},
{
"type": "R(meas)",
"value": 1.293
},
{
"type": "R(pim)",
"value": 0.778
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 2.600
},
{
"type": "CC(1/2)",
"value": 0.433
}
]
},
{
"resolution_limits": [84.340,5.520],
"number_observations": 8211,
"number_observations_unique": 2493,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 22.800
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}