Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "73206dbb3b43f5d37ec2f8373c8f5643",
"space_group_name": "P 65 2 2",
"unit_cell": {
"a": 161.565,
"b": 161.565,
"c": 645.405,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.03320],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [30.050,6.730],
"number_observations": 348970,
"number_observations_unique": 9487,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.554
},
{
"type": "R(meas)",
"value": 0.562
},
{
"type": "R(pim)",
"value": 0.091
},
{
"type": "I/SigI",
"value": 8.500
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 36.800
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [7.520,6.730],
"number_observations": 95598,
"number_observations_unique": 2593,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.215
},
{
"type": "R(meas)",
"value": 3.259
},
{
"type": "R(pim)",
"value": 0.529
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 36.900
},
{
"type": "CC(1/2)",
"value": 0.621
}
]
},
{
"resolution_limits": [30.050,15.050],
"number_observations": 27201,
"number_observations_unique": 862,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.165
},
{
"type": "R(meas)",
"value": 0.167
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 19.400
},
{
"type": "Completeness",
"value": 87.500
},
{
"type": "Redundancy",
"value": 31.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}