Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9c0cd69f763a5ce4fbb7e428cb5591ab",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 103.771,
"b": 335.770,
"c": 174.633,
"alpha": 90.00,
"beta": 91.07,
"gamma": 90.00
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [20.170,4.990],
"number_observations": 175610,
"number_observations_unique": 50839,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "R(meas)",
"value": 0.093
},
{
"type": "R(pim)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 8.100
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [5.150,4.990],
"number_observations": 17137,
"number_observations_unique": 4742,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.340
},
{
"type": "R(meas)",
"value": 1.575
},
{
"type": "R(pim)",
"value": 0.822
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.352
}
]
},
{
"resolution_limits": [20.170,19.960],
"number_observations": 74,
"number_observations_unique": 26,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 27.700
},
{
"type": "Completeness",
"value": 3.100
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}