Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4257cd63e04df4ad80d52eb046fde514",
"space_group_name": "P 1",
"unit_cell": {
"a": 121.804,
"b": 122.354,
"c": 128.221,
"alpha": 71.02,
"beta": 64.19,
"gamma": 61.66
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.320,3.250],
"number_observations": 146197,
"number_observations_unique": 82177,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.074
},
{
"type": "R(pim)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 5.600
},
{
"type": "Completeness",
"value": 89.800
},
{
"type": "Redundancy",
"value": 1.800
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [3.420,3.250],
"number_observations": 13600,
"number_observations_unique": 8045,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.807
},
{
"type": "R(meas)",
"value": 1.141
},
{
"type": "R(pim)",
"value": 0.807
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 60.300
},
{
"type": "Redundancy",
"value": 1.700
},
{
"type": "CC(1/2)",
"value": 0.483
}
]
},
{
"resolution_limits": [48.320,10.270],
"number_observations": 5357,
"number_observations_unique": 2812,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.017
},
{
"type": "R(meas)",
"value": 0.024
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 18.500
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 1.900
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
}
]
}