Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7e2c793da441f1aba11cf58dd9fe3956",
"space_group_name": "P 41 2 2",
"unit_cell": {
"a": 59.871,
"b": 59.871,
"c": 110.259,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [110.250,2.060],
"number_observations": 156038,
"number_observations_unique": 13075,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.428
},
{
"type": "R(meas)",
"value": 0.448
},
{
"type": "R(pim)",
"value": 0.129
},
{
"type": "I/SigI",
"value": 10.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.900
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
"refln_shells": [
{
"resolution_limits": [2.110,2.060],
"number_observations": 10508,
"number_observations_unique": 934,
"quality_factors": [
{
"type": "R(merge)",
"value": 5.119
},
{
"type": "R(meas)",
"value": 5.370
},
{
"type": "R(pim)",
"value": 1.605
},
{
"type": "I/SigI",
"value": 2.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.300
},
{
"type": "CC(1/2)",
"value": 0.467
}
]
},
{
"resolution_limits": [110.250,9.210],
"number_observations": 2043,
"number_observations_unique": 200,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "R(meas)",
"value": 0.081
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 21.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 10.200
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
}
]
}