Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "295d6b342e3448c9353f5bcabcea3161",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 210.729,
"b": 80.564,
"c": 221.833,
"alpha": 90.00,
"beta": 117.44,
"gamma": 90.00
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.300,2.100],
"number_observations": 2446368,
"number_observations_unique": 384732,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.229
},
{
"type": "R(meas)",
"value": 0.250
},
{
"type": "R(pim)",
"value": 0.100
},
{
"type": "I/SigI",
"value": 8.100
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [2.140,2.100],
"number_observations": 100730,
"number_observations_unique": 18372,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.834
},
{
"type": "R(meas)",
"value": 2.025
},
{
"type": "R(pim)",
"value": 0.839
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.618
}
]
},
{
"resolution_limits": [49.300,11.500],
"number_observations": 14506,
"number_observations_unique": 2492,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 29.800
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}