Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c9bedcb7ba44cef9eefe28d193ad6def",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 53.863,
"b": 69.688,
"c": 57.300,
"alpha": 90.00,
"beta": 92.77,
"gamma": 90.00
},
"wavelengths": [0.92124],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [57.240,1.690],
"number_observations": 330244,
"number_observations_unique": 47154,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.124
},
{
"type": "R(meas)",
"value": 0.134
},
{
"type": "R(pim)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 9.700
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.720,1.690],
"number_observations": 16477,
"number_observations_unique": 2331,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.846
},
{
"type": "R(meas)",
"value": 1.993
},
{
"type": "R(pim)",
"value": 0.746
},
{
"type": "I/SigI",
"value": 0.600
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 0.344
}
]
},
{
"resolution_limits": [57.240,9.100],
"number_observations": 2000,
"number_observations_unique": 334,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.075
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 50.500
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
}
]
}