Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "eaae8a65ef2f063d330b46a0881b3db8",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 73.308,
"b": 114.628,
"c": 120.824,
"alpha": 90.0,
"beta": 100.6,
"gamma": 90.0
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [118.760,1.920],
"number_observations": 510767,
"number_observations_unique": 147920,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.109
},
{
"type": "R(meas)",
"value": 0.130
},
{
"type": "R(pim)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 5.800
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.030,1.920],
"number_observations": 71882,
"number_observations_unique": 21529,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.719
},
{
"type": "R(meas)",
"value": 3.243
},
{
"type": "R(pim)",
"value": 1.751
},
{
"type": "I/SigI",
"value": 0.300
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.361
}
]
},
{
"resolution_limits": [118.760,6.090],
"number_observations": 16065,
"number_observations_unique": 4780,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 22.300
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}