Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d0bab92616cd641800c6d6a0a3390cf9",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 54.687,
"b": 98.352,
"c": 58.334,
"alpha": 90.00,
"beta": 107.22,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.180,1.800],
"number_observations": 187088,
"number_observations_unique": 53720,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 11.000
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.840,1.800],
"number_observations": 10607,
"number_observations_unique": 3175,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.977
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.611
}
]
},
{
"resolution_limits": [49.180,9.000],
"number_observations": 1481,
"number_observations_unique": 447,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 32.200
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}