Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a836d13b6029cd779758f69c0807be2c",
"space_group_name": "P 61",
"unit_cell": {
"a": 151.742,
"b": 151.742,
"c": 38.720,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.11500],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [37.935,2.000],
"number_observations_unique": 35005,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "I/SigI",
"value": 21.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.500
}
]
},
"refln_shells": [
{
"resolution_limits": [2.110,2.000],
"number_observations": 54585,
"number_observations_unique": 5057,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.495
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.800
}
]
},
{
"resolution_limits": [2.240,2.110],
"number_observations": 52705,
"number_observations_unique": 4799,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.331
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.000
}
]
},
{
"resolution_limits": [2.390,2.240],
"number_observations": 49642,
"number_observations_unique": 4503,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.208
},
{
"type": "I/SigI",
"value": 3.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.000
}
]
},
{
"resolution_limits": [2.580,2.390],
"number_observations": 46639,
"number_observations_unique": 4223,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.138
},
{
"type": "I/SigI",
"value": 5.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.000
}
]
},
{
"resolution_limits": [2.830,2.580],
"number_observations": 42316,
"number_observations_unique": 3856,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.104
},
{
"type": "I/SigI",
"value": 7.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.000
}
]
},
{
"resolution_limits": [3.160,2.830],
"number_observations": 67438,
"number_observations_unique": 3519,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.159
},
{
"type": "I/SigI",
"value": 4.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 19.200
}
]
},
{
"resolution_limits": [3.650,3.160],
"number_observations": 67768,
"number_observations_unique": 3116,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "I/SigI",
"value": 7.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 21.700
}
]
},
{
"resolution_limits": [4.470,3.650],
"number_observations": 56619,
"number_observations_unique": 2658,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "I/SigI",
"value": 9.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 21.300
}
]
},
{
"resolution_limits": [6.320,4.470],
"number_observations": 44914,
"number_observations_unique": 2084,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 10.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 21.600
}
]
},
{
"resolution_limits": [43.804,6.320],
"number_observations": 23696,
"number_observations_unique": 1190,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 12.400
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 19.900
}
]
}
]
}