Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0df2ab23c547f3287ba8407af0e4cdf2",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 45.62,
"b": 86.04,
"c": 127.64,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [71.340,1.690],
"number_observations": 368535,
"number_observations_unique": 57067,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "R(meas)",
"value": 0.093
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 12.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.730,1.690],
"number_observations": 26383,
"number_observations_unique": 4122,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.301
},
{
"type": "R(meas)",
"value": 1.417
},
{
"type": "R(pim)",
"value": 0.555
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.510
}
]
},
{
"resolution_limits": [71.340,7.560],
"number_observations": 4562,
"number_observations_unique": 752,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 36.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}