Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6a293ca2967dbf5308abb304b427cb82",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 45.13,
"b": 62.12,
"c": 115.62,
"alpha": 90.00,
"beta": 92.38,
"gamma": 90.00
},
"wavelengths": [0.97620],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.300,2.450],
"number_observations": 103280,
"number_observations_unique": 23610,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "R(meas)",
"value": 0.109
},
{
"type": "R(pim)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 9.500
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.510,2.450],
"number_observations": 7569,
"number_observations_unique": 1733,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.000
},
{
"type": "R(meas)",
"value": 1.141
},
{
"type": "R(pim)",
"value": 0.541
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.505
}
]
},
{
"resolution_limits": [42.300,10.960],
"number_observations": 1062,
"number_observations_unique": 276,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 24.200
},
{
"type": "Completeness",
"value": 96.000
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}