Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d514b1faed4d564c2387576fbbd1ea4a",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 182.703,
"b": 59.419,
"c": 67.358,
"alpha": 90.00,
"beta": 94.72,
"gamma": 90.00
},
"wavelengths": [0.97920],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [91.042,1.750],
"number_observations_unique": 72171,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.106
},
{
"type": "R(meas)",
"value": 0.127
},
{
"type": "R(pim)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 10.500
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 6.600
}
]
},
"refln_shells": [
{
"resolution_limits": [1.840,1.750],
"number_observations": 67751,
"number_observations_unique": 10509,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.712
},
{
"type": "R(meas)",
"value": 0.838
},
{
"type": "R(pim)",
"value": 0.327
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.400
}
]
},
{
"resolution_limits": [1.960,1.840],
"number_observations": 68326,
"number_observations_unique": 9973,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.488
},
{
"type": "R(meas)",
"value": 0.569
},
{
"type": "R(pim)",
"value": 0.217
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.900
}
]
},
{
"resolution_limits": [2.090,1.960],
"number_observations": 63350,
"number_observations_unique": 9358,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.344
},
{
"type": "R(meas)",
"value": 0.398
},
{
"type": "R(pim)",
"value": 0.152
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.800
}
]
},
{
"resolution_limits": [2.260,2.090],
"number_observations": 54344,
"number_observations_unique": 8644,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.256
},
{
"type": "R(meas)",
"value": 0.298
},
{
"type": "R(pim)",
"value": 0.119
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 6.300
}
]
},
{
"resolution_limits": [2.470,2.260],
"number_observations": 55647,
"number_observations_unique": 8058,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.194
},
{
"type": "R(meas)",
"value": 0.224
},
{
"type": "R(pim)",
"value": 0.085
},
{
"type": "I/SigI",
"value": 2.900
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.900
}
]
},
{
"resolution_limits": [2.770,2.470],
"number_observations": 49668,
"number_observations_unique": 7266,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.145
},
{
"type": "R(meas)",
"value": 0.167
},
{
"type": "R(pim)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 4.000
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.800
}
]
},
{
"resolution_limits": [3.200,2.770],
"number_observations": 39799,
"number_observations_unique": 6407,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.101
},
{
"type": "R(meas)",
"value": 0.122
},
{
"type": "R(pim)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 5.900
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 6.200
}
]
},
{
"resolution_limits": [3.910,3.200],
"number_observations": 33699,
"number_observations_unique": 5401,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "R(meas)",
"value": 0.084
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 9.000
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 6.200
}
]
},
{
"resolution_limits": [5.530,3.910],
"number_observations": 26020,
"number_observations_unique": 4220,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 10.600
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 6.200
}
]
},
{
"resolution_limits": [29.709,5.530],
"number_observations": 14314,
"number_observations_unique": 2335,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 12.400
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 6.100
}
]
}
]
}