Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c40ad1f3074321d4a6cc8580fb6faf73",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 82.455,
"b": 111.794,
"c": 62.559,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54187],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [34.4240,1.900],
"number_observations_unique": 22305,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "R(meas)",
"value": 0.102
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 13.300
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.940,1.900],
"number_observations": 8474,
"number_observations_unique": 1370,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.362
},
{
"type": "R(meas)",
"value": 0.394
},
{
"type": "R(pim)",
"value": 0.154
},
{
"type": "I/SigI",
"value": 7.200
},
{
"type": "Completeness",
"value": 92.500
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.876
}
]
},
{
"resolution_limits": [34.420,9.110],
"number_observations": 1261,
"number_observations_unique": 248,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "R(meas)",
"value": 0.022
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 21.600
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}