Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "35a3588237016c83531f6b90f2d562a8",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 53.596,
"b": 92.224,
"c": 94.033,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [35.344,1.938],
"number_observations_unique": 35256,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "R(meas)",
"value": 0.085
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 14.600
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 8.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.980,1.940],
"number_observations": 18180,
"number_observations_unique": 2248,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.117
},
{
"type": "R(meas)",
"value": 1.192
},
{
"type": "R(pim)",
"value": 0.411
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 95.600
},
{
"type": "Redundancy",
"value": 8.100
},
{
"type": "CC(1/2)",
"value": 0.655
}
]
},
{
"resolution_limits": [35.340,9.090],
"number_observations": 2627,
"number_observations_unique": 401,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 40.300
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}