Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6c6138379956df987cb58576878bb8b0",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 52.27,
"b": 57.48,
"c": 115.36,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [57.480,1.420],
"number_observations": 427812,
"number_observations_unique": 66384,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.070
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 12.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.460,1.420],
"number_observations": 27022,
"number_observations_unique": 4829,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.565
},
{
"type": "R(meas)",
"value": 1.729
},
{
"type": "R(pim)",
"value": 0.726
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.507
}
]
},
{
"resolution_limits": [57.480,6.350],
"number_observations": 4977,
"number_observations_unique": 856,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 40.500
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}