Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "dd30fa8842677bcf29f8cc9152edda58",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 104.028,
"b": 107.097,
"c": 134.706,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.520,2.500],
"number_observations": 320232,
"number_observations_unique": 52602,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.146
},
{
"type": "R(meas)",
"value": 0.159
},
{
"type": "R(pim)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 11.300
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.580,2.500],
"number_observations": 28167,
"number_observations_unique": 4516,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.498
},
{
"type": "R(meas)",
"value": 2.728
},
{
"type": "R(pim)",
"value": 1.088
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.291
}
]
},
{
"resolution_limits": [48.520,10.310],
"number_observations": 4533,
"number_observations_unique": 857,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 49.900
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}