Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "27c64d7987c5c2ec03ae88523a57aa8c",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 106.46,
"b": 70.03,
"c": 59.28,
"alpha": 90.00,
"beta": 95.25,
"gamma": 90.00
},
"wavelengths": [1.03320],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [59.031,1.700],
"number_observations_unique": 47323,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.129
},
{
"type": "R(meas)",
"value": 0.148
},
{
"type": "R(pim)",
"value": 0.071
},
{
"type": "I/SigI",
"value": 5.000
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [1.730,1.700],
"number_observations": 10159,
"number_observations_unique": 2526,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.122
},
{
"type": "R(meas)",
"value": 1.285
},
{
"type": "R(pim)",
"value": 0.614
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.106
}
]
},
{
"resolution_limits": [59.030,8.980],
"number_observations": 1509,
"number_observations_unique": 344,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 20.100
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}