{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "21eac16bf4130c6b6f071a92ba4abf79",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 52.505,
"b": 93.732,
"c": 57.265,
"alpha": 90.00,
"beta": 112.33,
"gamma": 90.00
},
"wavelengths": [0.97944],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.000],
"number_observations_unique": 33050,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "I/SigI",
"value": 8.300
},
{
"type": "Completeness",
"value": 95.900
},
{
"type": "Redundancy",
"value": 4.100
}
]
},
"refln_shells": [
{
"resolution_limits": [2.030,2.000],
"number_observations_unique": 1535,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.346
},
{
"type": "Completeness",
"value": 88.700
},
{
"type": "Redundancy",
"value": 2.500
}
]
},
{
"resolution_limits": [2.070,2.030],
"number_observations_unique": 1492,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.322
},
{
"type": "Completeness",
"value": 88.100
},
{
"type": "Redundancy",
"value": 2.700
}
]
},
{
"resolution_limits": [2.110,2.070],
"number_observations_unique": 1564,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.316
},
{
"type": "Completeness",
"value": 90.000
},
{
"type": "Redundancy",
"value": 2.900
}
]
},
{
"resolution_limits": [2.150,2.110],
"number_observations_unique": 1539,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.300
},
{
"type": "Completeness",
"value": 91.900
},
{
"type": "Redundancy",
"value": 3.000
}
]
},
{
"resolution_limits": [2.200,2.150],
"number_observations_unique": 1626,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.277
},
{
"type": "Completeness",
"value": 93.500
},
{
"type": "Redundancy",
"value": 3.100
}
]
},
{
"resolution_limits": [2.250,2.200],
"number_observations_unique": 1608,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.282
},
{
"type": "Completeness",
"value": 95.200
},
{
"type": "Redundancy",
"value": 3.300
}
]
},
{
"resolution_limits": [2.310,2.250],
"number_observations_unique": 1638,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.252
},
{
"type": "Completeness",
"value": 95.100
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [2.370,2.310],
"number_observations_unique": 1671,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.253
},
{
"type": "Completeness",
"value": 95.800
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [2.440,2.370],
"number_observations_unique": 1634,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.231
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [2.520,2.440],
"number_observations_unique": 1675,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.224
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [2.610,2.520],
"number_observations_unique": 1687,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.200
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [2.710,2.610],
"number_observations_unique": 1657,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.178
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 4.100
}
]
},
{
"resolution_limits": [2.840,2.710],
"number_observations_unique": 1692,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.161
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 4.300
}
]
},
{
"resolution_limits": [2.990,2.840],
"number_observations_unique": 1697,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.146
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 4.500
}
]
},
{
"resolution_limits": [3.170,2.990],
"number_observations_unique": 1698,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.129
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 4.700
}
]
},
{
"resolution_limits": [3.420,3.170],
"number_observations_unique": 1716,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 5.000
}
]
},
{
"resolution_limits": [3.760,3.420],
"number_observations_unique": 1714,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 5.400
}
]
},
{
"resolution_limits": [4.310,3.760],
"number_observations_unique": 1728,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.700
}
]
},
{
"resolution_limits": [5.430,4.310],
"number_observations_unique": 1715,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 5.600
}
]
},
{
"resolution_limits": [50.000,5.430],
"number_observations_unique": 1764,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.000
}
]
}
]
}
|