Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c510d79ab48b05f8b3bf760cf797574c",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 47.610,
"b": 58.790,
"c": 50.194,
"alpha": 90.00,
"beta": 116.14,
"gamma": 90.00
},
"wavelengths": [0.92819],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.060,1.440],
"number_observations": 149724,
"number_observations_unique": 44958,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "R(meas)",
"value": 0.080
},
{
"type": "R(pim)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 9.600
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.480,1.440],
"number_observations": 9721,
"number_observations_unique": 3320,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.927
},
{
"type": "R(meas)",
"value": 1.139
},
{
"type": "R(pim)",
"value": 0.652
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.461
}
]
},
{
"resolution_limits": [45.060,6.440],
"number_observations": 1762,
"number_observations_unique": 530,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 32.300
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}