Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "41353cf4ebbb225c8cba1997210ab211",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 54.250,
"b": 172.928,
"c": 72.852,
"alpha": 90.00,
"beta": 90.54,
"gamma": 90.00
},
"wavelengths": [0.91600],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [172.930,2.900],
"number_observations": 198135,
"number_observations_unique": 29654,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.135
},
{
"type": "R(meas)",
"value": 0.146
},
{
"type": "R(pim)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 8.700
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [3.080,2.900],
"number_observations": 33888,
"number_observations_unique": 4775,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.526
},
{
"type": "R(meas)",
"value": 1.646
},
{
"type": "R(pim)",
"value": 0.614
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 0.677
}
]
},
{
"resolution_limits": [172.930,8.700],
"number_observations": 6755,
"number_observations_unique": 1130,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 26.500
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}