Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "29efd4008db918597cea0fce8de3070d",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 80.184,
"b": 49.512,
"c": 115.712,
"alpha": 90.00,
"beta": 94.87,
"gamma": 90.00
},
"wavelengths": [0.91790],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [79.920,2.240],
"number_observations": 150819,
"number_observations_unique": 44033,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.107
},
{
"type": "R(meas)",
"value": 0.127
},
{
"type": "R(pim)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 12.800
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.310,2.240],
"number_observations": 13548,
"number_observations_unique": 3916,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.281
},
{
"type": "R(meas)",
"value": 1.519
},
{
"type": "R(pim)",
"value": 0.810
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.194
}
]
},
{
"resolution_limits": [79.920,8.960],
"number_observations": 2331,
"number_observations_unique": 759,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 62.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}