Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3f4f6b82d54ebde0cc29913511bffe50",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 37.258,
"b": 72.448,
"c": 52.505,
"alpha": 90.00,
"beta": 104.84,
"gamma": 90.00
},
"wavelengths": [0.96860],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [41.570,1.250],
"number_observations": 274409,
"number_observations_unique": 74273,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 15.100
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.270,1.250],
"number_observations": 13158,
"number_observations_unique": 3645,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.018
},
{
"type": "R(meas)",
"value": 1.198
},
{
"type": "R(pim)",
"value": 0.625
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.487
}
]
},
{
"resolution_limits": [41.570,6.850],
"number_observations": 1664,
"number_observations_unique": 473,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 48.400
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}