Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "269bbf22003a291b4e0322deed8d6c6d",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 81.696,
"b": 96.763,
"c": 57.965,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.980,1.690],
"number_observations": 168885,
"number_observations_unique": 26068,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 20.400
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.720,1.690],
"number_observations": 7638,
"number_observations_unique": 1374,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.744
},
{
"type": "R(meas)",
"value": 0.820
},
{
"type": "R(pim)",
"value": 0.338
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.850
}
]
},
{
"resolution_limits": [28.980,8.780],
"number_observations": 1330,
"number_observations_unique": 217,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 61.700
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}