Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9f220abd6298b091bc98312960b5b6af",
"space_group_name": "P 41 21 2",
"unit_cell": {
"a": 102.444,
"b": 102.444,
"c": 56.075,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97860],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.810,2.500],
"number_observations_unique": 10811,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "R(meas)",
"value": 0.104
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 11.800
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 12.000
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.600,2.500],
"number_observations": 15254,
"number_observations_unique": 1181,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.141
},
{
"type": "R(meas)",
"value": 1.192
},
{
"type": "R(pim)",
"value": 0.338
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 12.900
},
{
"type": "CC(1/2)",
"value": 0.927
}
]
},
{
"resolution_limits": [45.810,9.010],
"number_observations": 2844,
"number_observations_unique": 283,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 26.800
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 10.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}