Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7618adf039ea00fe5a439a775269417e",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 44.238,
"b": 53.666,
"c": 115.632,
"alpha": 90.00,
"beta": 100.94,
"gamma": 90.00
},
"wavelengths": [0.97946],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.000,1.950],
"number_observations": 262230,
"number_observations_unique": 38477,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.170
},
{
"type": "R(meas)",
"value": 0.184
},
{
"type": "R(pim)",
"value": 0.070
},
{
"type": "I/SigI",
"value": 7.400
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.000,1.950],
"number_observations": 18802,
"number_observations_unique": 2761,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.142
},
{
"type": "R(meas)",
"value": 2.319
},
{
"type": "R(pim)",
"value": 0.878
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.421
}
]
},
{
"resolution_limits": [39.000,8.940],
"number_observations": 2788,
"number_observations_unique": 427,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 24.400
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}