Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d3be7f1b2357d582edcf175ea2ff91bb",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 81.83,
"b": 27.40,
"c": 55.85,
"alpha": 90.00,
"beta": 100.29,
"gamma": 90.00
},
"wavelengths": [0.97622],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.260,1.240],
"number_observations": 154839,
"number_observations_unique": 25846,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 29.300
},
{
"type": "Completeness",
"value": 74.100
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.270,1.240],
"number_observations": 461,
"number_observations_unique": 247,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.546
},
{
"type": "R(meas)",
"value": 0.735
},
{
"type": "R(pim)",
"value": 0.487
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 9.800
},
{
"type": "Redundancy",
"value": 1.900
},
{
"type": "CC(1/2)",
"value": 0.650
}
]
},
{
"resolution_limits": [40.260,5.550],
"number_observations": 2638,
"number_observations_unique": 427,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.018
},
{
"type": "R(meas)",
"value": 0.020
},
{
"type": "R(pim)",
"value": 0.008
},
{
"type": "I/SigI",
"value": 66.400
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}