Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d7e887bb64b02552bf9b5745766444fc",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 435.84,
"b": 286.77,
"c": 303.77,
"alpha": 90.00,
"beta": 99.03,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.702,3.300],
"number_observations": 6419636,
"number_observations_unique": 1095552,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.312
},
{
"type": "R(meas)",
"value": 0.341
},
{
"type": "I/SigI",
"value": 5.800
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 5.73
}
]
},
"refln_shells": [
{
"resolution_limits": [3.400,3.300],
"number_observations": 533947,
"number_observations_unique": 93228,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.916
},
{
"type": "R(meas)",
"value": 2.103
},
{
"type": "I/SigI",
"value": 0.990
},
{
"type": "Completeness",
"value": 99.100
}
]
},
{
"resolution_limits": [3.500,3.400],
"number_observations": 496005,
"number_observations_unique": 83100,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.525
},
{
"type": "R(meas)",
"value": 1.666
},
{
"type": "I/SigI",
"value": 1.270
},
{
"type": "Completeness",
"value": 99.200
}
]
},
{
"resolution_limits": [3.600,3.500],
"number_observations": 443584,
"number_observations_unique": 74079,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.214
},
{
"type": "R(meas)",
"value": 1.326
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 99.200
}
]
},
{
"resolution_limits": [3.800,3.600],
"number_observations": 727810,
"number_observations_unique": 125933,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.907
},
{
"type": "R(meas)",
"value": 0.994
},
{
"type": "I/SigI",
"value": 2.140
},
{
"type": "Completeness",
"value": 99.300
}
]
},
{
"resolution_limits": [4.000,3.800],
"number_observations": 608381,
"number_observations_unique": 102139,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.634
},
{
"type": "R(meas)",
"value": 0.692
},
{
"type": "I/SigI",
"value": 3.090
},
{
"type": "Completeness",
"value": 99.400
}
]
},
{
"resolution_limits": [4.500,4.000],
"number_observations": 1074808,
"number_observations_unique": 183088,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.420
},
{
"type": "R(meas)",
"value": 0.460
},
{
"type": "I/SigI",
"value": 4.580
},
{
"type": "Completeness",
"value": 99.500
}
]
},
{
"resolution_limits": [5.000,4.500],
"number_observations": 682255,
"number_observations_unique": 117159,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.281
},
{
"type": "R(meas)",
"value": 0.307
},
{
"type": "I/SigI",
"value": 6.720
},
{
"type": "Completeness",
"value": 99.500
}
]
},
{
"resolution_limits": [6.000,5.000],
"number_observations": 788588,
"number_observations_unique": 133163,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.210
},
{
"type": "R(meas)",
"value": 0.229
},
{
"type": "I/SigI",
"value": 8.830
},
{
"type": "Completeness",
"value": 99.600
}
]
},
{
"resolution_limits": [7.000,6.000],
"number_observations": 397289,
"number_observations_unique": 67839,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.173
},
{
"type": "R(meas)",
"value": 0.189
},
{
"type": "I/SigI",
"value": 10.440
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [8.000,7.000],
"number_observations": 226118,
"number_observations_unique": 38222,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.138
},
{
"type": "R(meas)",
"value": 0.151
},
{
"type": "I/SigI",
"value": 13.220
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [9.000,8.000],
"number_observations": 128880,
"number_observations_unique": 23096,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.118
},
{
"type": "R(meas)",
"value": 0.130
},
{
"type": "I/SigI",
"value": 14.930
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [10.000,9.000],
"number_observations": 88571,
"number_observations_unique": 14807,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "R(meas)",
"value": 0.114
},
{
"type": "I/SigI",
"value": 17.480
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [20.000,10.000],
"number_observations": 197955,
"number_observations_unique": 35003,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "R(meas)",
"value": 0.091
},
{
"type": "I/SigI",
"value": 20.420
},
{
"type": "Completeness",
"value": 99.600
}
]
},
{
"resolution_limits": [30.000,20.000],
"number_observations": 20378,
"number_observations_unique": 3583,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 26.190
},
{
"type": "Completeness",
"value": 99.100
}
]
},
{
"resolution_limits": [40.000,30.000],
"number_observations": 4387,
"number_observations_unique": 861,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 26.260
},
{
"type": "Completeness",
"value": 97.600
}
]
},
{
"resolution_limits": [49.702,40.000],
"number_observations": 680,
"number_observations_unique": 252,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "R(meas)",
"value": 0.093
},
{
"type": "I/SigI",
"value": 9.900
},
{
"type": "Completeness",
"value": 37.100
}
]
}
]
}