Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "176538bb05a439a7908e23dd2674d06e",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 49.214,
"b": 92.018,
"c": 34.111,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.87260,0.97900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.210,1.470],
"number_observations": 116430,
"number_observations_unique": 27069,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.070
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 12.100
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.520,1.470],
"number_observations": 10608,
"number_observations_unique": 2591,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.741
},
{
"type": "R(meas)",
"value": 0.852
},
{
"type": "R(pim)",
"value": 0.412
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.633
}
]
},
{
"resolution_limits": [49.210,5.690],
"number_observations": 2187,
"number_observations_unique": 546,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 33.900
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}