Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "054b0002d1ea305afc1343a2e0a90bff",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 83.898,
"b": 95.989,
"c": 105.610,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.900,1.830],
"number_observations": 508666,
"number_observations_unique": 69549,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "R(meas)",
"value": 0.092
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 16.300
},
{
"type": "Completeness",
"value": 91.800
},
{
"type": "Redundancy",
"value": 7.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.870,1.830],
"number_observations": 34212,
"number_observations_unique": 4531,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.308
},
{
"type": "R(meas)",
"value": 1.404
},
{
"type": "R(pim)",
"value": 0.507
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 7.600
},
{
"type": "CC(1/2)",
"value": 0.663
}
]
},
{
"resolution_limits": [29.900,8.970],
"number_observations": 4440,
"number_observations_unique": 727,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 52.800
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}