Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6ea07c29f5b90008aceedd9f54741dbd",
"space_group_name": "P 61",
"unit_cell": {
"a": 68.84,
"b": 68.84,
"c": 77.23,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [34.42,3.300],
"number_observations": 12301,
"number_observations_unique": 3054,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.115
},
{
"type": "R(meas)",
"value": 0.133
},
{
"type": "I/SigI",
"value": 14.860
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 4.0
}
]
},
"refln_shells": [
{
"resolution_limits": [3.400,3.300],
"number_observations": 940,
"number_observations_unique": 238,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.495
},
{
"type": "R(meas)",
"value": 0.573
},
{
"type": "I/SigI",
"value": 3.510
},
{
"type": "Completeness",
"value": 92.600
}
]
},
{
"resolution_limits": [3.500,3.400],
"number_observations": 953,
"number_observations_unique": 231,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.405
},
{
"type": "R(meas)",
"value": 0.465
},
{
"type": "I/SigI",
"value": 4.700
},
{
"type": "Completeness",
"value": 95.900
}
]
},
{
"resolution_limits": [4.000,3.500],
"number_observations": 3448,
"number_observations_unique": 851,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.215
},
{
"type": "R(meas)",
"value": 0.248
},
{
"type": "I/SigI",
"value": 8.280
},
{
"type": "Completeness",
"value": 96.800
}
]
},
{
"resolution_limits": [4.500,4.000],
"number_observations": 2093,
"number_observations_unique": 519,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.114
},
{
"type": "R(meas)",
"value": 0.132
},
{
"type": "I/SigI",
"value": 14.170
},
{
"type": "Completeness",
"value": 97.700
}
]
},
{
"resolution_limits": [5.000,4.500],
"number_observations": 1310,
"number_observations_unique": 319,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.108
},
{
"type": "R(meas)",
"value": 0.124
},
{
"type": "I/SigI",
"value": 15.580
},
{
"type": "Completeness",
"value": 95.200
}
]
},
{
"resolution_limits": [6.000,5.000],
"number_observations": 1549,
"number_observations_unique": 377,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.146
},
{
"type": "R(meas)",
"value": 0.168
},
{
"type": "I/SigI",
"value": 11.430
},
{
"type": "Completeness",
"value": 97.400
}
]
},
{
"resolution_limits": [10.000,6.000],
"number_observations": 1598,
"number_observations_unique": 407,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 31.500
},
{
"type": "Completeness",
"value": 96.000
}
]
},
{
"resolution_limits": [20.000,10.000],
"number_observations": 370,
"number_observations_unique": 99,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.018
},
{
"type": "R(meas)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 60.510
},
{
"type": "Completeness",
"value": 96.100
}
]
},
{
"resolution_limits": [34.42,20.000],
"number_observations": 40,
"number_observations_unique": 13,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.013
},
{
"type": "R(meas)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 75.200
},
{
"type": "Completeness",
"value": 86.700
}
]
}
]
}