Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9f3d204c8f0eef6ac7d5ea4d4b1465c1",
"space_group_name": "P 63",
"unit_cell": {
"a": 150.160,
"b": 150.160,
"c": 112.275,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.91257],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [130.040,2.490],
"number_observations": 531008,
"number_observations_unique": 50404,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.541
},
{
"type": "R(meas)",
"value": 0.568
},
{
"type": "R(pim)",
"value": 0.174
},
{
"type": "I/SigI",
"value": 4.100
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 10.500
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
"refln_shells": [
{
"resolution_limits": [2.620,2.490],
"number_observations": 79342,
"number_observations_unique": 7296,
"quality_factors": [
{
"type": "R(merge)",
"value": 4.942
},
{
"type": "R(meas)",
"value": 5.183
},
{
"type": "R(pim)",
"value": 1.558
},
{
"type": "I/SigI",
"value": 0.500
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 10.900
},
{
"type": "CC(1/2)",
"value": 0.345
}
]
},
{
"resolution_limits": [130.040,7.860],
"number_observations": 16658,
"number_observations_unique": 1653,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "R(meas)",
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},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 18.300
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 10.100
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}