Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b2c3869d487d1b26de109b9a2a4c5c62",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 81.382,
"b": 111.716,
"c": 62.135,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.03300],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [65.780,1.450],
"number_observations": 603817,
"number_observations_unique": 48005,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "R(meas)",
"value": 0.089
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 15.700
},
{
"type": "Completeness",
"value": 95.100
},
{
"type": "Redundancy",
"value": 12.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.480,1.450],
"number_observations": 27230,
"number_observations_unique": 2563,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.472
},
{
"type": "R(meas)",
"value": 1.546
},
{
"type": "R(pim)",
"value": 0.467
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 10.600
},
{
"type": "CC(1/2)",
"value": 0.690
}
]
},
{
"resolution_limits": [65.780,7.810],
"number_observations": 4372,
"number_observations_unique": 380,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 55.500
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 11.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}