Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3f439e1e89720424e7abc7017a875087",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 68.580,
"b": 94.199,
"c": 117.404,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97625],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [59.217,1.15],
"number_observations_unique": 114591,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 21.500
},
{
"type": "Completeness",
"value": 90.400
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.212,1.166],
"number_observations": 19473,
"number_observations_unique": 5678,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.374
},
{
"type": "R(meas)",
"value": 0.436
},
{
"type": "R(pim)",
"value": 0.220
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 46.900
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.854
}
]
},
{
"resolution_limits": [59.217,3.321],
"number_observations": 33709,
"number_observations_unique": 5676,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 50.300
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}