Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7557cade61f3883aaeba02028e436798",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 52.57,
"b": 77.97,
"c": 153.65,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97910,0.97980,0.97200],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50,1.9],
"number_observations": 276025,
"number_observations_unique": 50381,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(meas)",
"value": 0.127
},
{
"type": "I/SigI",
"value": 11.80
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 5.3
}
]
},
"refln_shells": [
{
"resolution_limits": [2.0,1.9],
"number_observations": 86118,
"number_observations_unique": 16577,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.586
},
{
"type": "R(meas)",
"value": 0.386
},
{
"type": "I/SigI",
"value": 2.22
},
{
"type": "Completeness",
"value": 95.7
},
{
"type": "Redundancy",
"value": 3.9
}
]
},
{
"resolution_limits": [2.900,2.600],
"number_observations": 51649,
"number_observations_unique": 10358,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.210
},
{
"type": "R(meas)",
"value": 0.236
},
{
"type": "I/SigI",
"value": 11.500
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.100,2.900],
"number_observations": 25935,
"number_observations_unique": 4858,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.152
},
{
"type": "R(meas)",
"value": 0.169
},
{
"type": "I/SigI",
"value": 16.010
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.400,3.100],
"number_observations": 27646,
"number_observations_unique": 5272,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.125
},
{
"type": "R(meas)",
"value": 0.139
},
{
"type": "I/SigI",
"value": 19.240
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.800,3.400],
"number_observations": 23131,
"number_observations_unique": 4716,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.103
},
{
"type": "R(meas)",
"value": 0.116
},
{
"type": "I/SigI",
"value": 22.750
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [4.300,3.800],
"number_observations": 19568,
"number_observations_unique": 3712,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "R(meas)",
"value": 0.103
},
{
"type": "I/SigI",
"value": 27.020
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [5.900,4.300],
"number_observations": 25516,
"number_observations_unique": 5042,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
"value": 0.091
},
{
"type": "I/SigI",
"value": 27.480
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [8.000,5.900],
"number_observations": 10144,
"number_observations_unique": 1905,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "R(meas)",
"value": 0.084
},
{
"type": "I/SigI",
"value": 28.160
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [12.000,8.000],
"number_observations": 4284,
"number_observations_unique": 900,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 33.240
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [50,12.000],
"number_observations": 2034,
"number_observations_unique": 385,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.072
},
{
"type": "I/SigI",
"value": 35.260
},
{
"type": "Completeness",
"value": 98.000
}
]
}
]
}