Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f6e7ec41afc39c2c51f0b43bdc610927",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 105.604,
"b": 146.563,
"c": 140.242,
"alpha": 90.00,
"beta": 111.39,
"gamma": 90.00
},
"wavelengths": [0.97857],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.350,2.580],
"number_observations": 594559,
"number_observations_unique": 123740,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.077
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 13.400
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.630,2.580],
"number_observations": 26957,
"number_observations_unique": 5799,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.394
},
{
"type": "R(meas)",
"value": 1.572
},
{
"type": "R(pim)",
"value": 0.719
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 95.200
},
{
"type": "Redundancy",
"value": 4.600
},
{
"type": "CC(1/2)",
"value": 0.458
}
]
},
{
"resolution_limits": [49.350,14.160],
"number_observations": 3177,
"number_observations_unique": 744,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 45.000
},
{
"type": "Completeness",
"value": 93.400
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}