Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "edc9b43470be3cf8f23395d5e2420646",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 75.291,
"b": 78.925,
"c": 87.458,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92820],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [87.460,1.620],
"number_observations": 521377,
"number_observations_unique": 67132,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 25.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.800
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.710,1.620],
"number_observations": 74044,
"number_observations_unique": 9685,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.746
},
{
"type": "R(meas)",
"value": 0.800
},
{
"type": "R(pim)",
"value": 0.286
},
{
"type": "I/SigI",
"value": 2.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.600
},
{
"type": "CC(1/2)",
"value": 0.813
}
]
},
{
"resolution_limits": [87.460,5.120],
"number_observations": 16419,
"number_observations_unique": 2327,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 74.200
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}