Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "40eafd9a1479420caf0f6d1c7cd6bc8f",
"space_group_name": "P 43",
"unit_cell": {
"a": 61.026,
"b": 61.026,
"c": 35.547,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92124],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [61.020,1.860],
"number_observations": 152869,
"number_observations_unique": 11186,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
"value": 0.086
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 15.200
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 13.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.900,1.860],
"number_observations": 9459,
"number_observations_unique": 665,
"quality_factors": [
{
"type": "R(merge)",
"value": 5.795
},
{
"type": "R(meas)",
"value": 6.009
},
{
"type": "R(pim)",
"value": 1.585
},
{
"type": "I/SigI",
"value": 0.200
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 14.200
},
{
"type": "CC(1/2)",
"value": 0.356
}
]
},
{
"resolution_limits": [61.020,9.110],
"number_observations": 1152,
"number_observations_unique": 111,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 83.700
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 10.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}