Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1cc3922023e662ffb696dbd54011699f",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 81.853,
"b": 94.115,
"c": 94.248,
"alpha": 90.00,
"beta": 95.93,
"gamma": 90.00
},
"wavelengths": [0.97915],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.058,3.528],
"number_observations_unique": 17501,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.145
},
{
"type": "R(meas)",
"value": 0.172
},
{
"type": "R(pim)",
"value": 0.092
},
{
"type": "I/SigI",
"value": 6.600
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [3.589,3.528],
"number_observations": 3151,
"number_observations_unique": 891,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.758
},
{
"type": "R(meas)",
"value": 0.893
},
{
"type": "R(pim)",
"value": 0.467
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.803
}
]
},
{
"resolution_limits": [47.058,9.551],
"number_observations": 2791,
"number_observations_unique": 891,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 22.000
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}