Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9e6eb3ae531a46c767a895a1a78ebb91",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 53.420,
"b": 69.753,
"c": 57.384,
"alpha": 90.00,
"beta": 92.18,
"gamma": 90.00
},
"wavelengths": [0.92124],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [34.880,1.420],
"number_observations": 500484,
"number_observations_unique": 77303,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "R(meas)",
"value": 0.088
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 9.600
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.450,1.420],
"number_observations": 16908,
"number_observations_unique": 3562,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.936
},
{
"type": "R(meas)",
"value": 2.179
},
{
"type": "R(pim)",
"value": 0.982
},
{
"type": "I/SigI",
"value": 0.300
},
{
"type": "Completeness",
"value": 90.900
},
{
"type": "Redundancy",
"value": 4.700
},
{
"type": "CC(1/2)",
"value": 0.324
}
]
},
{
"resolution_limits": [34.880,7.790],
"number_observations": 3163,
"number_observations_unique": 511,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 57.100
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}