Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "59f05d9fa24baa8318a85c5e66322a87",
"space_group_name": "P 32",
"unit_cell": {
"a": 124.002,
"b": 124.002,
"c": 119.518,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97775],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [119.520,3.100],
"number_observations": 356012,
"number_observations_unique": 37212,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.162
},
{
"type": "R(meas)",
"value": 0.172
},
{
"type": "R(pim)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 7.900
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 9.600
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [3.240,3.100],
"number_observations": 44226,
"number_observations_unique": 4572,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.102
},
{
"type": "R(meas)",
"value": 1.168
},
{
"type": "R(pim)",
"value": 0.379
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 9.700
},
{
"type": "CC(1/2)",
"value": 0.642
}
]
},
{
"resolution_limits": [119.520,10.740],
"number_observations": 6971,
"number_observations_unique": 884,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(meas)",
"value": 0.075
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 16.300
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 7.900
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}