Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "088f6fbb3a1e599e5418c98024707995",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 56.395,
"b": 96.240,
"c": 58.994,
"alpha": 90.00,
"beta": 111.92,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [36.140,1.320],
"number_observations": 918848,
"number_observations_unique": 136416,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 13.200
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.340,1.320],
"number_observations": 37901,
"number_observations_unique": 6775,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.151
},
{
"type": "R(meas)",
"value": 1.273
},
{
"type": "R(pim)",
"value": 0.528
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.540
}
]
},
{
"resolution_limits": [36.140,7.230],
"number_observations": 5436,
"number_observations_unique": 846,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 39.100
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}