Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "10a782e56ce652cb85015436534f6d90",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 100.252,
"b": 58.087,
"c": 49.793,
"alpha": 90.00,
"beta": 112.39,
"gamma": 90.00
},
"wavelengths": [0.97860],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.220,1.500],
"number_observations": 148298,
"number_observations_unique": 42253,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 11.600
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.540,1.500],
"number_observations": 8959,
"number_observations_unique": 3060,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.839
},
{
"type": "R(meas)",
"value": 1.027
},
{
"type": "R(pim)",
"value": 0.582
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.595
}
]
},
{
"resolution_limits": [49.220,6.710],
"number_observations": 1738,
"number_observations_unique": 494,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 41.800
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}