Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "99190b924dca5c3e92c9ca3321c589f5",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 39.648,
"b": 68.015,
"c": 40.236,
"alpha": 90.00,
"beta": 92.94,
"gamma": 90.00
},
"wavelengths": [0.97956],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.183,1.1],
"number_observations_unique": 83848,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "R(meas)",
"value": 0.094
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 13.200
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.160,1.110],
"number_observations": 53657,
"number_observations_unique": 11570,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.494
},
{
"type": "R(meas)",
"value": 0.559
},
{
"type": "R(pim)",
"value": 0.255
},
{
"type": "I/SigI",
"value": 2.900
},
{
"type": "Completeness",
"value": 93.400
},
{
"type": "Redundancy",
"value": 4.600
},
{
"type": "CC(1/2)",
"value": 0.854
}
]
},
{
"resolution_limits": [40.180,3.490],
"number_observations": 17957,
"number_observations_unique": 2766,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 28.500
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}