Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "fe4c8cbdbdd09fd70b1a84433601bf43",
"space_group_name": "P 43",
"unit_cell": {
"a": 87.929,
"b": 87.929,
"c": 39.375,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91188],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [87.940,0.980],
"number_observations": 768510,
"number_observations_unique": 157932,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.083
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 8.000
},
{
"type": "Completeness",
"value": 91.600
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.000,0.980],
"number_observations": 4035,
"number_observations_unique": 3414,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.949
},
{
"type": "R(meas)",
"value": 1.340
},
{
"type": "R(pim)",
"value": 0.947
},
{
"type": "I/SigI",
"value": 0.200
},
{
"type": "Completeness",
"value": 39.100
},
{
"type": "Redundancy",
"value": 1.200
},
{
"type": "CC(1/2)",
"value": 0.364
}
]
},
{
"resolution_limits": [87.940,5.280],
"number_observations": 7885,
"number_observations_unique": 1200,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 30.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
}
]
}