Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6c51ac2b42ec9f87d000cfb34c9166ca",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 67.775,
"b": 65.400,
"c": 79.752,
"alpha": 90.00,
"beta": 101.34,
"gamma": 90.00
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [66.450,2.310],
"number_observations": 201455,
"number_observations_unique": 30254,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "R(meas)",
"value": 0.104
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 11.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.370,2.310],
"number_observations": 14572,
"number_observations_unique": 2224,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.659
},
{
"type": "R(meas)",
"value": 1.804
},
{
"type": "R(pim)",
"value": 0.701
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.535
}
]
},
{
"resolution_limits": [66.450,10.330],
"number_observations": 2240,
"number_observations_unique": 369,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 35.300
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}