Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9cd55d556a7d36360529317ce6cc8c7d",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 75.022,
"b": 72.195,
"c": 76.271,
"alpha": 90.00,
"beta": 112.09,
"gamma": 90.00
},
"wavelengths": [0.97946],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [37.750,1.980],
"number_observations_unique": 52155,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 15.200
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.030,1.980],
"number_observations": 23147,
"number_observations_unique": 3510,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.012
},
{
"type": "R(meas)",
"value": 2.185
},
{
"type": "R(pim)",
"value": 0.838
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 94.200
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.514
}
]
},
{
"resolution_limits": [37.750,9.060],
"number_observations": 4209,
"number_observations_unique": 588,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 48.000
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 7.200
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}